4-chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine

C16H16ClN5O — CID 166101473

IUPAC4-chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
SMILESCOc1ccccc1Cc1cn(C)nc1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C16H16ClN5O/c1-22-9-11(7-10-5-3-4-6-13(10)23-2)15(21-22)12-8-14(17)20-16(18)19-12/h3-6,8-9H,7H2,1-2H3,(H2,18,19,20)
InChIKeyDICNOSVBYCAGKS-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.71
Rot. Bonds4

About 4-chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine

4-chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine (PubChem CID 166101473) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 4-chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
PubChem CID166101473
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name4-chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
SMILESCOc1ccccc1Cc1cn(C)nc1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C16H16ClN5O/c1-22-9-11(7-10-5-3-4-6-13(10)23-2)15(21-22)12-8-14(17)20-16(18)19-12/h3-6,8-9H,7H2,1-2H3,(H2,18,19,20)
InChIKeyDICNOSVBYCAGKS-UHFFFAOYSA-N
XLogP2.71
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 166101565
CID 166101565
methyl (3R)-4-[2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine-3-carboxylate
CID 166101429
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
CM-Tpmf
CID 3780244
4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539410
Pyrazolo[1,5-b]pyridazine deriv. 71
CID 6539413
4-(3-methoxyphenyl)-2-(4-methyl-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 16193783
5-(4-Methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 661730
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 655783
1-[2-(4-Chloropyrazolyl)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methoxybenzene
CID 3331216
N-{4-[5-chloro-7-(cyclopropylamino)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrimidinyl}-N-cyclopentylamine
CID 10277152
N-{4-[5-chloro-7-(cyclopentylamino)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrimidinyl}-N-cyclopentylamine
CID 10278790

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine (CID 166101473) is 4-chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine is COc1ccccc1Cc1cn(C)nc1-c1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is DICNOSVBYCAGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-22-9-11(7-10-5-3-4-6-13(10)23-2)15(21-22)12-8-14(17)20-16(18)19-12/h3-6,8-9H,7H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine?
4-chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 329.79 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 166101473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).