6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine

C13H22N4O — CID 80955245

IUPAC6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(NCC2CCOC2)n1
InChIInChI=1S/C13H22N4O/c1-3-4-11-16-12(14-2)7-13(17-11)15-8-10-5-6-18-9-10/h7,10H,3-6,8-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyZWHSUKUEJWQMQO-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.92
Rot. Bonds6

About 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine

6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80955245) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80955245
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(NCC2CCOC2)n1
InChIInChI=1S/C13H22N4O/c1-3-4-11-16-12(14-2)7-13(17-11)15-8-10-5-6-18-9-10/h7,10H,3-6,8-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyZWHSUKUEJWQMQO-UHFFFAOYSA-N
XLogP1.92
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine 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-3-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938193
6-N-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950301
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771800
6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80955001
6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80983011
6-chloro-2-ethyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 80936100
2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80958677
N-ethyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidin-4-amine
CID 80950581
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
6-N-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 107421207
2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380250
4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80825653

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine (CID 80955245) is 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)cc(NCC2CCOC2)n1.
What is the InChIKey of 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is ZWHSUKUEJWQMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-4-11-16-12(14-2)7-13(17-11)15-8-10-5-6-18-9-10/h7,10H,3-6,8-9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine?
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80955245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).