7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine

C17H15N7 — CID 154649438

IUPAC7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
SMILESNc1nc(NCc2cccnc2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C17H15N7/c18-17-22-15-8-12(14-5-7-21-24-14)3-4-13(15)16(23-17)20-10-11-2-1-6-19-9-11/h1-9H,10H2,(H,21,24)(H3,18,20,22,23)
InChIKeyHIEKFZLLJGYACH-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.61
Rot. Bonds4

About 7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine

7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine (PubChem CID 154649438) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
PubChem CID154649438
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
SMILESNc1nc(NCc2cccnc2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C17H15N7/c18-17-22-15-8-12(14-5-7-21-24-14)3-4-13(15)16(23-17)20-10-11-2-1-6-19-9-11/h1-9H,10H2,(H,21,24)(H3,18,20,22,23)
InChIKeyHIEKFZLLJGYACH-UHFFFAOYSA-N
XLogP2.61
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine
CID 154649391
4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649367
4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 80773541
1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-2-ol
CID 154998317
4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 175696684
4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649329
2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol
CID 154649335
4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649525
4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649381
[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol
CID 154649288
cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol
CID 154649378
[(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol
CID 154649311

Frequently Asked Questions

What is the IUPAC name of 7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine (CID 154649438) is 7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine is Nc1nc(NCc2cccnc2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is HIEKFZLLJGYACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c18-17-22-15-8-12(14-5-7-21-24-14)3-4-13(15)16(23-17)20-10-11-2-1-6-19-9-11/h1-9H,10H2,(H,21,24)(H3,18,20,22,23).
What are the key properties of 7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine?
7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 317.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 154649438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).