N-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine

C15H19ClN4 — CID 103445354

IUPACN-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(-c2ncccc2Cl)nc(C)c1CNC(C)C
InChIInChI=1S/C15H19ClN4/c1-9(2)18-8-12-10(3)19-15(20-11(12)4)14-13(16)6-5-7-17-14/h5-7,9,18H,8H2,1-4H3
InChIKeyJCEAJEFGJGHDHJ-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.31
Rot. Bonds4

About N-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine

N-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 103445354) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is N-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
PubChem CID103445354
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC NameN-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(-c2ncccc2Cl)nc(C)c1CNC(C)C
InChIInChI=1S/C15H19ClN4/c1-9(2)18-8-12-10(3)19-15(20-11(12)4)14-13(16)6-5-7-17-14/h5-7,9,18H,8H2,1-4H3
InChIKeyJCEAJEFGJGHDHJ-UHFFFAOYSA-N
XLogP3.31
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 103445314
N-[2-[4,6-dimethyl-2-(3-methyl-2-pyridinyl)pyrimidin-5-yl]ethyl]propan-2-amine
CID 62744066
N-[[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 63089028
N-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 62944754
N-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 62746192
N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
CID 115614136
N-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine
CID 63804931
4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine
CID 103443010
N-[[2-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 107915641
N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine
CID 103445312
3-chloro-2-(3-chloro-2-pyridinyl)pyridine;palladium(2+)
CID 18935247
2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 103445182

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine (CID 103445354) is N-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(-c2ncccc2Cl)nc(C)c1CNC(C)C.
What is the InChIKey of N-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is JCEAJEFGJGHDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-9(2)18-8-12-10(3)19-15(20-11(12)4)14-13(16)6-5-7-17-14/h5-7,9,18H,8H2,1-4H3.
What are the key properties of N-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 290.80 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 103445354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).