2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine

C14H26N4 — CID 80849271

IUPAC2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
SMILESCCC(CC)N(CC(C)C)c1cc(N)nc(C)n1
InChIInChI=1S/C14H26N4/c1-6-12(7-2)18(9-10(3)4)14-8-13(15)16-11(5)17-14/h8,10,12H,6-7,9H2,1-5H3,(H2,15,16,17)
InChIKeyARINTMIKYDKZME-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.02
Rot. Bonds6

About 2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine

2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine (PubChem CID 80849271) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
PubChem CID80849271
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
SMILESCCC(CC)N(CC(C)C)c1cc(N)nc(C)n1
InChIInChI=1S/C14H26N4/c1-6-12(7-2)18(9-10(3)4)14-8-13(15)16-11(5)17-14/h8,10,12H,6-7,9H2,1-5H3,(H2,15,16,17)
InChIKeyARINTMIKYDKZME-UHFFFAOYSA-N
XLogP3.02
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-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

2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80959517
6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80849194
4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine
CID 80837748
6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine
CID 80968795
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80961040
4-N-cyclopropyl-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80821013
2-cyclopropyl-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
CID 80968796
5-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylbenzene-1,3-diamine
CID 112648051
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80821328
2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine
CID 79483689
4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80775488
4-N-(2,2-dimethoxyethyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 121206010

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine (CID 80849271) is 2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine is CCC(CC)N(CC(C)C)c1cc(N)nc(C)n1.
What is the InChIKey of 2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The InChIKey is ARINTMIKYDKZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-12(7-2)18(9-10(3)4)14-8-13(15)16-11(5)17-14/h8,10,12H,6-7,9H2,1-5H3,(H2,15,16,17).
What are the key properties of 2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine?
2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80849271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).