2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine

C13H22N4O — CID 80854891

IUPAC2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCC2(C)CCCO2)n1
InChIInChI=1S/C13H22N4O/c1-4-14-12-15-8-10(2)11(17-12)16-9-13(3)6-5-7-18-13/h8H,4-7,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyIJEFPRFKEPCYRJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.20
Rot. Bonds5

About 2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine

2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80854891) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80854891
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCC2(C)CCCO2)n1
InChIInChI=1S/C13H22N4O/c1-4-14-12-15-8-10(2)11(17-12)16-9-13(3)6-5-7-18-13/h8H,4-7,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyIJEFPRFKEPCYRJ-UHFFFAOYSA-N
XLogP2.20
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-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

2-hydrazinyl-5-methyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
CID 80928984
1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80842921
5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
CID 80854676
2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 114102554
5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
CID 80928877
6-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80991523
4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827960
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 83039166
5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80992035
2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785663
2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80831891

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine (CID 80854891) is 2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine is CCNc1ncc(C)c(NCC2(C)CCCO2)n1.
What is the InChIKey of 2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is IJEFPRFKEPCYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-14-12-15-8-10(2)11(17-12)16-9-13(3)6-5-7-18-13/h8H,4-7,9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine?
2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80854891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).