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

C16H14N8 — CID 154649391

IUPAC7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine
SMILESNc1nc(NCc2ncccn2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H14N8/c17-16-22-13-8-10(12-4-7-21-24-12)2-3-11(13)15(23-16)20-9-14-18-5-1-6-19-14/h1-8H,9H2,(H,21,24)(H3,17,20,22,23)
InChIKeyDQJRGHWVAQHYLM-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.00
Rot. Bonds4

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

7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 154649391) has the molecular formula C16H14N8 and a molecular weight of 318.34 g/mol. Its IUPAC name is 7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID154649391
Molecular FormulaC16H14N8
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine
SMILESNc1nc(NCc2ncccn2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H14N8/c17-16-22-13-8-10(12-4-7-21-24-12)2-3-11(13)15(23-16)20-9-14-18-5-1-6-19-14/h1-8H,9H2,(H,21,24)(H3,17,20,22,23)
InChIKeyDQJRGHWVAQHYLM-UHFFFAOYSA-N
XLogP2.00
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine (CID 154649391) is 7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine is Nc1nc(NCc2ncccn2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is DQJRGHWVAQHYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8/c17-16-22-13-8-10(12-4-7-21-24-12)2-3-11(13)15(23-16)20-9-14-18-5-1-6-19-14/h1-8H,9H2,(H,21,24)(H3,17,20,22,23).
What are the key properties of 7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine?
7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 318.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 154649391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).