4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine

C15H19ClN4 — CID 62087271

IUPAC4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine
SMILESCC(C)c1ncc(N(C)Cc2ccccn2)c(CCl)n1
InChIInChI=1S/C15H19ClN4/c1-11(2)15-18-9-14(13(8-16)19-15)20(3)10-12-6-4-5-7-17-12/h4-7,9,11H,8,10H2,1-3H3
InChIKeyHVUJOEICPOSYRA-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.37
Rot. Bonds5

About 4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine

4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine (PubChem CID 62087271) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine
PubChem CID62087271
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine
SMILESCC(C)c1ncc(N(C)Cc2ccccn2)c(CCl)n1
InChIInChI=1S/C15H19ClN4/c1-11(2)15-18-9-14(13(8-16)19-15)20(3)10-12-6-4-5-7-17-12/h4-7,9,11H,8,10H2,1-3H3
InChIKeyHVUJOEICPOSYRA-UHFFFAOYSA-N
XLogP3.37
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-ethyl-N-phenyl-2-propan-2-ylpyrimidin-5-amine
CID 62087802
4-(chloromethyl)-N-ethyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine
CID 63445678
2-N,6-N-dimethyl-2-N,6-N-bis(pyridin-2-ylmethyl)pyrazine-2,6-diamine
CID 100671089
4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)-2-propan-2-ylpyrimidin-5-amine
CID 63446305
N-butan-2-yl-4-(chloromethyl)-N-ethyl-2-propan-2-ylpyrimidin-5-amine
CID 55032896
5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 61256200
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
4-(chloromethyl)-N-methyl-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-5-amine
CID 63446591
4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 62865087
N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328176
N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline
CID 63060222
2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 103958546

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine?
The IUPAC name of 4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine (CID 62087271) is 4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine.
What is the SMILES notation for 4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine?
The canonical SMILES for 4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine is CC(C)c1ncc(N(C)Cc2ccccn2)c(CCl)n1.
What is the InChIKey of 4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine?
The InChIKey is HVUJOEICPOSYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-11(2)15-18-9-14(13(8-16)19-15)20(3)10-12-6-4-5-7-17-12/h4-7,9,11H,8,10H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine?
4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine has a molecular weight of 290.80 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidin-5-amine is sourced from PubChem (CID 62087271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).