5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine

C14H16ClN3O — CID 96542363

IUPAC5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(N[C@H](C)c2ccccc2C)n1
InChIInChI=1S/C14H16ClN3O/c1-9-6-4-5-7-11(9)10(2)17-13-12(15)8-16-14(18-13)19-3/h4-8,10H,1-3H3,(H,16,17,18)/t10-/m1/s1
InChIKeyZKLWNZRDGXENNH-SNVBAGLBSA-N
MW277.76 g/mol
LogP3.62
Rot. Bonds4

About 5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine

5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine (PubChem CID 96542363) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine
PubChem CID96542363
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(N[C@H](C)c2ccccc2C)n1
InChIInChI=1S/C14H16ClN3O/c1-9-6-4-5-7-11(9)10(2)17-13-12(15)8-16-14(18-13)19-3/h4-8,10H,1-3H3,(H,16,17,18)/t10-/m1/s1
InChIKeyZKLWNZRDGXENNH-SNVBAGLBSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801728
N-[1-(4-bromophenyl)ethyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80758542
3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol
CID 133400269
5-chloro-2-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80711807
3,6-dimethyl-N-[1-(2-methylphenyl)ethyl]pyrazin-2-amine
CID 60703972
2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938019
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide
CID 133394626
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide
CID 80758540
5-chloro-2-methoxy-N-pent-1-yn-3-ylpyrimidin-4-amine
CID 106231241
5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80757935
5-chloro-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801581
5-chloro-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxypyrimidin-4-amine
CID 106181795

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine (CID 96542363) is 5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine is COc1ncc(Cl)c(N[C@H](C)c2ccccc2C)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is ZKLWNZRDGXENNH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-6-4-5-7-11(9)10(2)17-13-12(15)8-16-14(18-13)19-3/h4-8,10H,1-3H3,(H,16,17,18)/t10-/m1/s1.
What are the key properties of 5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine?
5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 96542363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).