6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine

C13H20ClN3O — CID 80938789

IUPAC6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NCC2CCCCO2)n1
InChIInChI=1S/C13H20ClN3O/c1-2-5-12-16-11(14)8-13(17-12)15-9-10-6-3-4-7-18-10/h8,10H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyYHPVQKMMBHURQP-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.06
Rot. Bonds5

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

6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine (PubChem CID 80938789) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
PubChem CID80938789
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NCC2CCCCO2)n1
InChIInChI=1S/C13H20ClN3O/c1-2-5-12-16-11(14)8-13(17-12)15-9-10-6-3-4-7-18-10/h8,10H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyYHPVQKMMBHURQP-UHFFFAOYSA-N
XLogP3.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80939617
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine
CID 80940255
6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80934388
2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 82460809
6-chloro-N-(oxolan-3-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938193
2-tert-butyl-6-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 96653247
6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938173
6-chloro-2-ethyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80936355
2,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 159289441
6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 113346443
6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 80940573

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine (CID 80938789) is 6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(NCC2CCCCO2)n1.
What is the InChIKey of 6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine?
The InChIKey is YHPVQKMMBHURQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-2-5-12-16-11(14)8-13(17-12)15-9-10-6-3-4-7-18-10/h8,10H,2-7,9H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine?
6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80938789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).