2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

C13H15ClN4 — CID 79075884

IUPAC2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1N(C)CCc1ccncc1
InChIInChI=1S/C13H15ClN4/c1-10-9-16-13(14)17-12(10)18(2)8-5-11-3-6-15-7-4-11/h3-4,6-7,9H,5,8H2,1-2H3
InChIKeyJEEKYMDOVWDZRL-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.51
Rot. Bonds4

About 2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (PubChem CID 79075884) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
PubChem CID79075884
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1N(C)CCc1ccncc1
InChIInChI=1S/C13H15ClN4/c1-10-9-16-13(14)17-12(10)18(2)8-5-11-3-6-15-7-4-11/h3-4,6-7,9H,5,8H2,1-2H3
InChIKeyJEEKYMDOVWDZRL-UHFFFAOYSA-N
XLogP2.51
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,3,6-trimethyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 133468986
5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine
CID 80503008
1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 79072496
5-(aminomethyl)-N,3-dimethyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 80630342
2-chloro-N-(2,2-dimethylpropyl)-N,5-dimethylpyrimidin-4-amine
CID 79073368
6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine
CID 63023072
5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80791974
5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 107373359
3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 62281580
2-N,2-N,4-N,5,6-pentamethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 50951636
5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 63874581
2-hydrazinyl-N,5-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80907599

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (CID 79075884) is 2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is Cc1cnc(Cl)nc1N(C)CCc1ccncc1.
What is the InChIKey of 2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is JEEKYMDOVWDZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-10-9-16-13(14)17-12(10)18(2)8-5-11-3-6-15-7-4-11/h3-4,6-7,9H,5,8H2,1-2H3.
What are the key properties of 2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 262.74 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,5-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 79075884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).