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

C13H20N6 — CID 115266426

IUPAC6-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
SMILESCc1nc(NCC(C)CN)cc(Nc2ccc[nH]2)n1
InChIInChI=1S/C13H20N6/c1-9(7-14)8-16-12-6-13(18-10(2)17-12)19-11-4-3-5-15-11/h3-6,9,15H,7-8,14H2,1-2H3,(H2,16,17,18,19)
InChIKeyNXQRPXHYESVGQF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.86
Rot. Bonds6

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

6-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine (PubChem CID 115266426) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
PubChem CID115266426
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name6-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
SMILESCc1nc(NCC(C)CN)cc(Nc2ccc[nH]2)n1
InChIInChI=1S/C13H20N6/c1-9(7-14)8-16-12-6-13(18-10(2)17-12)19-11-4-3-5-15-11/h3-6,9,15H,7-8,14H2,1-2H3,(H2,16,17,18,19)
InChIKeyNXQRPXHYESVGQF-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
CID 115266437
4-N-(1-amino-2-methylpropan-2-yl)-2-methyl-6-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
CID 115266382
2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
CID 115266404
6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115266433
2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine
CID 115252329
2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80839670
6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115266355
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868124
2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868133
2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine
CID 117044524
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868173
6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine
CID 113230295

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine (CID 115266426) is 6-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine is Cc1nc(NCC(C)CN)cc(Nc2ccc[nH]2)n1.
What is the InChIKey of 6-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine?
The InChIKey is NXQRPXHYESVGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-9(7-14)8-16-12-6-13(18-10(2)17-12)19-11-4-3-5-15-11/h3-6,9,15H,7-8,14H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine?
6-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115266426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).