4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

C17H16N8O — CID 154649367

IUPAC4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESCOc1ncc(CNc2nc(N)nc3cc(-c4ccn[nH]4)ccc23)cn1
InChIInChI=1S/C17H16N8O/c1-26-17-20-8-10(9-21-17)7-19-15-12-3-2-11(13-4-5-22-25-13)6-14(12)23-16(18)24-15/h2-6,8-9H,7H2,1H3,(H,22,25)(H3,18,19,23,24)
InChIKeyMCXXNLXBTKEENR-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.01
Rot. Bonds5

About 4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (PubChem CID 154649367) has the molecular formula C17H16N8O and a molecular weight of 348.37 g/mol. Its IUPAC name is 4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
PubChem CID154649367
Molecular FormulaC17H16N8O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESCOc1ncc(CNc2nc(N)nc3cc(-c4ccn[nH]4)ccc23)cn1
InChIInChI=1S/C17H16N8O/c1-26-17-20-8-10(9-21-17)7-19-15-12-3-2-11(13-4-5-22-25-13)6-14(12)23-16(18)24-15/h2-6,8-9H,7H2,1H3,(H,22,25)(H3,18,19,23,24)
InChIKeyMCXXNLXBTKEENR-UHFFFAOYSA-N
XLogP2.01
TPSA127.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine with MolForge

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Related Compounds

7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine
CID 154649391
7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 154649438
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
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
2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol
CID 154649335
[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
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-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (CID 154649367) is 4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is COc1ncc(CNc2nc(N)nc3cc(-c4ccn[nH]4)ccc23)cn1.
What is the InChIKey of 4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The InChIKey is MCXXNLXBTKEENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O/c1-26-17-20-8-10(9-21-17)7-19-15-12-3-2-11(13-4-5-22-25-13)6-14(12)23-16(18)24-15/h2-6,8-9H,7H2,1H3,(H,22,25)(H3,18,19,23,24).
What are the key properties of 4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine has a molecular weight of 348.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 154649367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).