2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine

C14H23N3O — CID 134698138

IUPAC2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine
SMILESCCCc1cnc(C)nc1NCC1CCCOC1
InChIInChI=1S/C14H23N3O/c1-3-5-13-9-15-11(2)17-14(13)16-8-12-6-4-7-18-10-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyATDZWBZPGJRJBM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.58
Rot. Bonds5

About 2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine

2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine (PubChem CID 134698138) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine
PubChem CID134698138
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine
SMILESCCCc1cnc(C)nc1NCC1CCCOC1
InChIInChI=1S/C14H23N3O/c1-3-5-13-9-15-11(2)17-14(13)16-8-12-6-4-7-18-10-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyATDZWBZPGJRJBM-UHFFFAOYSA-N
XLogP2.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80813809
N-(oxan-3-ylmethyl)-2-propylaniline
CID 63737543
2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813128
5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 114475438
6-chloro-2-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,5-diamine
CID 59374572
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984091
5-chloro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813611
5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813012
3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 114835731
3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
CID 79535173
2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80982978
3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 102750873

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine (CID 134698138) is 2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine is CCCc1cnc(C)nc1NCC1CCCOC1.
What is the InChIKey of 2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine?
The InChIKey is ATDZWBZPGJRJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-5-13-9-15-11(2)17-14(13)16-8-12-6-4-7-18-10-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,17).
What are the key properties of 2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine?
2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 134698138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).