6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine

C13H20N6 — CID 115266437

IUPAC6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC(C)N)cc(Nc2ccc[nH]2)n1
InChIInChI=1S/C13H20N6/c1-9(14)5-7-16-12-8-13(18-10(2)17-12)19-11-4-3-6-15-11/h3-4,6,8-9,15H,5,7,14H2,1-2H3,(H2,16,17,18,19)
InChIKeyKMXDLIRYERZQNW-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.01
Rot. Bonds6

About 6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine

6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine (PubChem CID 115266437) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
PubChem CID115266437
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC(C)N)cc(Nc2ccc[nH]2)n1
InChIInChI=1S/C13H20N6/c1-9(14)5-7-16-12-8-13(18-10(2)17-12)19-11-4-3-6-15-11/h3-4,6,8-9,15H,5,7,14H2,1-2H3,(H2,16,17,18,19)
InChIKeyKMXDLIRYERZQNW-UHFFFAOYSA-N
XLogP2.01
TPSA91.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-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-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
CID 115266426
2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
CID 115266404
4-N-(1-amino-2-methylpropan-2-yl)-2-methyl-6-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
CID 115266382
6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 115266442
1-N-(2-methylpyrimidin-4-yl)butane-1,3-diamine
CID 63251627
6-hydrazinyl-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
4-N-(3-chloro-4-methylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112876166
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112876148
2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine
CID 112876216
1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine
CID 106127472
4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112876167
4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112867516

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine (CID 115266437) is 6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine is Cc1nc(NCCC(C)N)cc(Nc2ccc[nH]2)n1.
What is the InChIKey of 6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine?
The InChIKey is KMXDLIRYERZQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-9(14)5-7-16-12-8-13(18-10(2)17-12)19-11-4-3-6-15-11/h3-4,6,8-9,15H,5,7,14H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine?
6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115266437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).