6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine

C11H16ClN3O — CID 62480935

IUPAC6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCC2CCCCO2)n1
InChIInChI=1S/C11H16ClN3O/c1-8-14-10(12)6-11(15-8)13-7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyNEFOVPKWVXDGBW-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.42
Rot. Bonds3

About 6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine

6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 62480935) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
PubChem CID62480935
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCC2CCCCO2)n1
InChIInChI=1S/C11H16ClN3O/c1-8-14-10(12)6-11(15-8)13-7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyNEFOVPKWVXDGBW-UHFFFAOYSA-N
XLogP2.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938789
2-tert-butyl-6-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 96653247
6-chloro-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80939617
4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870105
2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 159289441
2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870060
6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 113346443
6-N-[2-(4-chlorophenyl)ethyl]-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870038
4-N-(4-chloro-2-methylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870102
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342
4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870104
6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80934388

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine (CID 62480935) is 6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine is Cc1nc(Cl)cc(NCC2CCCCO2)n1.
What is the InChIKey of 6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is NEFOVPKWVXDGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-14-10(12)6-11(15-8)13-7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine?
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 241.72 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 62480935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).