2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine

C13H20N6 — CID 115266404

IUPAC2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
SMILESCNCCCNc1cc(Nc2ccc[nH]2)nc(C)n1
InChIInChI=1S/C13H20N6/c1-10-17-12(16-8-4-6-14-2)9-13(18-10)19-11-5-3-7-15-11/h3,5,7,9,14-15H,4,6,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyOIIUWLAJTILWJG-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.88
Rot. Bonds7

About 2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine

2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine (PubChem CID 115266404) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
PubChem CID115266404
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
SMILESCNCCCNc1cc(Nc2ccc[nH]2)nc(C)n1
InChIInChI=1S/C13H20N6/c1-10-17-12(16-8-4-6-14-2)9-13(18-10)19-11-5-3-7-15-11/h3,5,7,9,14-15H,4,6,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyOIIUWLAJTILWJG-UHFFFAOYSA-N
XLogP1.88
TPSA77.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-(3-aminobutyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
CID 115266437
6-N-(3-amino-2-methylpropyl)-2-methyl-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
CID 115266426
N-methyl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine
CID 115197680
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-pentyl-4-N-phenylpyrimidine-4,6-diamine
CID 112876247
4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine
CID 115266412
6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112867947
6-N-butyl-4-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868007
6-N-butyl-4-N-(4-tert-butylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867942
4-N-(4-methoxyphenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875784
4-N-(4-chlorophenyl)-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870610
4-N-(3-chlorophenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875777

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine (CID 115266404) is 2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine is CNCCCNc1cc(Nc2ccc[nH]2)nc(C)n1.
What is the InChIKey of 2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine?
The InChIKey is OIIUWLAJTILWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-10-17-12(16-8-4-6-14-2)9-13(18-10)19-11-5-3-7-15-11/h3,5,7,9,14-15H,4,6,8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine?
2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.88, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115266404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).