5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine

C15H15ClN6O — CID 141388735

IUPAC5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCOc1cccc(CNc2nc(Nc3cn[nH]c3)ncc2Cl)c1
InChIInChI=1S/C15H15ClN6O/c1-23-12-4-2-3-10(5-12)6-17-14-13(16)9-18-15(22-14)21-11-7-19-20-8-11/h2-5,7-9H,6H2,1H3,(H,19,20)(H2,17,18,21,22)
InChIKeyKCZCUWPYNPYQRJ-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.22
Rot. Bonds6

About 5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine

5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 141388735) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is 5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID141388735
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC Name5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCOc1cccc(CNc2nc(Nc3cn[nH]c3)ncc2Cl)c1
InChIInChI=1S/C15H15ClN6O/c1-23-12-4-2-3-10(5-12)6-17-14-13(16)9-18-15(22-14)21-11-7-19-20-8-11/h2-5,7-9H,6H2,1H3,(H,19,20)(H2,17,18,21,22)
InChIKeyKCZCUWPYNPYQRJ-UHFFFAOYSA-N
XLogP3.22
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-N-[3-(3-methoxyphenyl)propyl]-2-N-phenylpyrimidine-2,4-diamine
CID 173107816
5-chloro-2-N-(1H-pyrazol-4-yl)-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine
CID 90023730
[3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol
CID 58467923
5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80758182
2-N-ethyl-5-fluoro-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80797043
5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 80932410
4-N-[(3-methoxyphenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80773950
6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798291
3-[[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
CID 141357974
6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113431252
5-[[5-chloro-4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 11740476
1-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-3-en-2-one
CID 153010518

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine (CID 141388735) is 5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine is COc1cccc(CNc2nc(Nc3cn[nH]c3)ncc2Cl)c1.
What is the InChIKey of 5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is KCZCUWPYNPYQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O/c1-23-12-4-2-3-10(5-12)6-17-14-13(16)9-18-15(22-14)21-11-7-19-20-8-11/h2-5,7-9H,6H2,1H3,(H,19,20)(H2,17,18,21,22).
What are the key properties of 5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine?
5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 330.78 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 141388735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).