4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

C15H16N6 — CID 154649381

IUPAC4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESCC1(Nc2nc(N)nc3cc(-c4ccn[nH]4)ccc23)CC1
InChIInChI=1S/C15H16N6/c1-15(5-6-15)20-13-10-3-2-9(11-4-7-17-21-11)8-12(10)18-14(16)19-13/h2-4,7-8H,5-6H2,1H3,(H,17,21)(H3,16,18,19,20)
InChIKeyKNPJIDCHCYGPIK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.57
Rot. Bonds3

About 4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (PubChem CID 154649381) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
PubChem CID154649381
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESCC1(Nc2nc(N)nc3cc(-c4ccn[nH]4)ccc23)CC1
InChIInChI=1S/C15H16N6/c1-15(5-6-15)20-13-10-3-2-9(11-4-7-17-21-11)8-12(10)18-14(16)19-13/h2-4,7-8H,5-6H2,1H3,(H,17,21)(H3,16,18,19,20)
InChIKeyKNPJIDCHCYGPIK-UHFFFAOYSA-N
XLogP2.57
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 175696684
4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649525
1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-2-ol
CID 154998317
7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine
CID 154649391
2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol
CID 154649335
cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol
CID 154649378
[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol
CID 154649288
[(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol
CID 154649311
4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649367
7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 154649438
4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649329
formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 175739698

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (CID 154649381) is 4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is CC1(Nc2nc(N)nc3cc(-c4ccn[nH]4)ccc23)CC1.
What is the InChIKey of 4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The InChIKey is KNPJIDCHCYGPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-15(5-6-15)20-13-10-3-2-9(11-4-7-17-21-11)8-12(10)18-14(16)19-13/h2-4,7-8H,5-6H2,1H3,(H,17,21)(H3,16,18,19,20).
What are the key properties of 4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine has a molecular weight of 280.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 154649381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).