N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine

C18H17ClN4 — CID 56564118

IUPACN-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCc2ccccc2Cl)c1C
InChIInChI=1S/C18H17ClN4/c1-12-13(2)22-18(16-9-5-6-10-20-16)23-17(12)21-11-14-7-3-4-8-15(14)19/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyUSLKCBBXHGHKFT-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.42
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine

N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 56564118) has the molecular formula C18H17ClN4 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID56564118
Molecular FormulaC18H17ClN4
Molecular Weight324.81 g/mol
Exact Mass324.11
IUPAC NameN-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCc2ccccc2Cl)c1C
InChIInChI=1S/C18H17ClN4/c1-12-13(2)22-18(16-9-5-6-10-20-16)23-17(12)21-11-14-7-3-4-8-15(14)19/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyUSLKCBBXHGHKFT-UHFFFAOYSA-N
XLogP4.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 44591370
5,6-dimethyl-2-pyridin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidin-4-amine
CID 133291008
N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56563768
4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide
CID 133290912
6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine
CID 63727891
5-chloro-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 44591368
5-chloro-N,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 2740170
N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133295437
N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 56563652
1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine
CID 62745820
N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine
CID 62744443
5,6-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 56563710

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine (CID 56564118) is N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine is Cc1nc(-c2ccccn2)nc(NCc2ccccc2Cl)c1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is USLKCBBXHGHKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c1-12-13(2)22-18(16-9-5-6-10-20-16)23-17(12)21-11-14-7-3-4-8-15(14)19/h3-10H,11H2,1-2H3,(H,21,22,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 324.81 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 56564118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).