4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(6-methyl-3-pyridinyl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C32H30N12 — CID 90783465

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(6-methyl-3-pyridinyl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cn1
InChIInChI=1S/C20H19N7.C12H11N5/c1-12-6-9-14(11-21-12)22-20-23-16-5-3-2-4-15(16)19(25-20)24-18-10-17(26-27-18)13-7-8-13;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h2-6,9-11,13H,7-8H2,1H3,(H3,22,23,24,25,26,27);2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyHYECCYUAESVIIU-UHFFFAOYSA-N
MW582.68 g/mol
LogP6.83
Rot. Bonds7

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(6-methyl-3-pyridinyl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(6-methyl-3-pyridinyl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 90783465) has the molecular formula C32H30N12 and a molecular weight of 582.68 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(6-methyl-3-pyridinyl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(6-methyl-3-pyridinyl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID90783465
Molecular FormulaC32H30N12
Molecular Weight582.68 g/mol
Exact Mass582.27
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(6-methyl-3-pyridinyl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cn1
InChIInChI=1S/C20H19N7.C12H11N5/c1-12-6-9-14(11-21-12)22-20-23-16-5-3-2-4-15(16)19(25-20)24-18-10-17(26-27-18)13-7-8-13;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h2-6,9-11,13H,7-8H2,1H3,(H3,22,23,24,25,26,27);2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyHYECCYUAESVIIU-UHFFFAOYSA-N
XLogP6.83
TPSA157.90 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.68
LogP ≤ 56.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(6-methyl-3-pyridinyl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
Izencitinib
CID 124090478
6-phenyl-7-[4-({4-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)phenyl]pyrido[2,3-d]pyrimidine-2-carbonitrile
CID 11504922
N-methyl-6-phenyl-7-[4-({4-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
CID 11664023
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
N~4~-(5-Cyclopropyl-1h-Pyrazol-3-Yl)-N~2~-[(1s)-1-(1h-Pyrrolo[3,2-B]pyridin-5-Yl)ethyl]pyrimidine-2,4-Diamine
CID 71611421
N~2~-(1h-Benzimidazol-6-Yl)-N~4~-(5-Cyclobutyl-1h-Pyrazol-3-Yl)quinazoline-2,4-Diamine
CID 86346643
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-3-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11238677
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478841
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478962

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(6-methyl-3-pyridinyl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(6-methyl-3-pyridinyl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 90783465) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(6-methyl-3-pyridinyl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(6-methyl-3-pyridinyl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(6-methyl-3-pyridinyl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cn1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(6-methyl-3-pyridinyl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is HYECCYUAESVIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7.C12H11N5/c1-12-6-9-14(11-21-12)22-20-23-16-5-3-2-4-15(16)19(25-20)24-18-10-17(26-27-18)13-7-8-13;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h2-6,9-11,13H,7-8H2,1H3,(H3,22,23,24,25,26,27);2-7H,1H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(6-methyl-3-pyridinyl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(6-methyl-3-pyridinyl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 582.68 g/mol, XLogP of 6.83, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(6-methyl-3-pyridinyl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 90783465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).