4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylpyrimidine-4,6-diamine

C21H22N8 — CID 71591854

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylpyrimidine-4,6-diamine
SMILESc1ccc(-c2nc(NCCc3cnc[nH]3)cc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C21H22N8/c1-2-4-15(5-3-1)21-26-18(23-9-8-16-12-22-13-24-16)11-19(27-21)25-20-10-17(28-29-20)14-6-7-14/h1-5,10-14H,6-9H2,(H,22,24)(H3,23,25,26,27,28,29)
InChIKeyDHIZSKWVZCHGAL-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.87
Rot. Bonds8

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylpyrimidine-4,6-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylpyrimidine-4,6-diamine (PubChem CID 71591854) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylpyrimidine-4,6-diamine
PubChem CID71591854
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylpyrimidine-4,6-diamine
SMILESc1ccc(-c2nc(NCCc3cnc[nH]3)cc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C21H22N8/c1-2-4-15(5-3-1)21-26-18(23-9-8-16-12-22-13-24-16)11-19(27-21)25-20-10-17(28-29-20)14-6-7-14/h1-5,10-14H,6-9H2,(H,22,24)(H3,23,25,26,27,28,29)
InChIKeyDHIZSKWVZCHGAL-UHFFFAOYSA-N
XLogP3.87
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Vactosertib
CID 54766013
PP121
CID 24905142
N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 42627755
5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135457998
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
4-(2-(1H-Imidazol-4-YL)ethylamino)-2-(phenylamino)pyrazolo(1,5-A)(1,3,5)triazine-8-carbonitrile
CID 24779678
N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 24798741
Vlx-600
CID 6410104
4-[3-Azanyl-6-[1-Methyl-5-(1-Phenylcyclopropyl)-1,2,4-Triazol-3-Yl]pyrazin-2-Yl]-~{n},~{n}-Dimethyl-Pyrazole-1-Sulfonamide
CID 126480570
CID 138105936
CID 138105936
5-bromo-N4-(3-cyclopropyl-1H-pyrazol-5-yl)-N2-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 11212221
Imidazole 81
CID 23647350

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylpyrimidine-4,6-diamine (CID 71591854) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylpyrimidine-4,6-diamine is c1ccc(-c2nc(NCCc3cnc[nH]3)cc(Nc3cc(C4CC4)[nH]n3)n2)cc1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylpyrimidine-4,6-diamine?
The InChIKey is DHIZSKWVZCHGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8/c1-2-4-15(5-3-1)21-26-18(23-9-8-16-12-22-13-24-16)11-19(27-21)25-20-10-17(28-29-20)14-6-7-14/h1-5,10-14H,6-9H2,(H,22,24)(H3,23,25,26,27,28,29).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylpyrimidine-4,6-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylpyrimidine-4,6-diamine has a molecular weight of 386.46 g/mol, XLogP of 3.87, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 71591854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).