6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C15H19ClN4 — CID 80970738

IUPAC6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1N(C)Cc1cccnc1
InChIInChI=1S/C15H19ClN4/c1-10(2)14-18-13(16)11(3)15(19-14)20(4)9-12-6-5-7-17-8-12/h5-8,10H,9H2,1-4H3
InChIKeyKPYQEXHGEKHASI-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.59
Rot. Bonds4

About 6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 80970738) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID80970738
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1N(C)Cc1cccnc1
InChIInChI=1S/C15H19ClN4/c1-10(2)14-18-13(16)11(3)15(19-14)20(4)9-12-6-5-7-17-8-12/h5-8,10H,9H2,1-4H3
InChIKeyKPYQEXHGEKHASI-UHFFFAOYSA-N
XLogP3.59
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80979906
3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 102750389
N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80971700
5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 79076488
6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 55125410
2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine
CID 66278201
5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 154785251
3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62281535
N,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 50972618
N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 78845350
3,5-dichloro-6-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 102761658
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80981052

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 80970738) is 6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1N(C)Cc1cccnc1.
What is the InChIKey of 6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is KPYQEXHGEKHASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-10(2)14-18-13(16)11(3)15(19-14)20(4)9-12-6-5-7-17-8-12/h5-8,10H,9H2,1-4H3.
What are the key properties of 6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 290.80 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80970738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).