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

C16H16ClN5O — CID 164625093

IUPAC4-chloro-6-[4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
SMILESCOc1cccc(Cc2cn(C)nc2-c2cc(Cl)nc(N)n2)c1
InChIInChI=1S/C16H16ClN5O/c1-22-9-11(6-10-4-3-5-12(7-10)23-2)15(21-22)13-8-14(17)20-16(18)19-13/h3-5,7-9H,6H2,1-2H3,(H2,18,19,20)
InChIKeyNSTRYHLUEUMCOI-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.71
Rot. Bonds4

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

4-chloro-6-[4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine (PubChem CID 164625093) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 4-chloro-6-[4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
PubChem CID164625093
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name4-chloro-6-[4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
SMILESCOc1cccc(Cc2cn(C)nc2-c2cc(Cl)nc(N)n2)c1
InChIInChI=1S/C16H16ClN5O/c1-22-9-11(6-10-4-3-5-12(7-10)23-2)15(21-22)13-8-14(17)20-16(18)19-13/h3-5,7-9H,6H2,1-2H3,(H2,18,19,20)
InChIKeyNSTRYHLUEUMCOI-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
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
Pyrazolo[1,5-b]pyridazine deriv. 71
CID 6539413
5-[3-(3-Methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708236
5-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 3701632
4-(3-methoxyphenyl)-2-(4-methyl-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 16193783
6-(3-Methoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 620319
1-[2-(4-Chloropyrazolyl)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methoxybenzene
CID 3331216
4-[3-(Ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]-2-phenoxypyrimidine
CID 10222044
2-[3-(3-Methoxy-5-methylphenyl)-4-[6-(2-methylpropylamino)-2-pyridin-3-ylpyrimidin-4-yl]pyrazol-1-yl]acetonitrile
CID 118726561
4-Chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 166101473
4-Chloro-6-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine
CID 166101589

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine (CID 164625093) is 4-chloro-6-[4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine is COc1cccc(Cc2cn(C)nc2-c2cc(Cl)nc(N)n2)c1.
What is the InChIKey of 4-chloro-6-[4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is NSTRYHLUEUMCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-22-9-11(6-10-4-3-5-12(7-10)23-2)15(21-22)13-8-14(17)20-16(18)19-13/h3-5,7-9H,6H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-chloro-6-[4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine?
4-chloro-6-[4-[(3-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-[(3-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 164625093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).