4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine

C14H25N5 — CID 115266412

IUPAC4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine
SMILESCNCCCNc1cc(N(C)C2CCC2)nc(C)n1
InChIInChI=1S/C14H25N5/c1-11-17-13(16-9-5-8-15-2)10-14(18-11)19(3)12-6-4-7-12/h10,12,15H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyRIVYMEZNKRDOPP-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.80
Rot. Bonds7

About 4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine

4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine (PubChem CID 115266412) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine
PubChem CID115266412
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine
SMILESCNCCCNc1cc(N(C)C2CCC2)nc(C)n1
InChIInChI=1S/C14H25N5/c1-11-17-13(16-9-5-8-15-2)10-14(18-11)19(3)12-6-4-7-12/h10,12,15H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyRIVYMEZNKRDOPP-UHFFFAOYSA-N
XLogP1.80
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-cyclopentyl-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80774637
6-N-butyl-4-N-(1,1-dioxothiolan-3-yl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112867879
6-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112870544
4-N,2-dimethyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 82746093
N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 106193008
6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
CID 115143281
2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80809845
4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80793618
2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80787099
4-N-cyclopropyl-4-N-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967123
4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122692
6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
CID 99980166

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine (CID 115266412) is 4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine is CNCCCNc1cc(N(C)C2CCC2)nc(C)n1.
What is the InChIKey of 4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine?
The InChIKey is RIVYMEZNKRDOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-11-17-13(16-9-5-8-15-2)10-14(18-11)19(3)12-6-4-7-12/h10,12,15H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine?
4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 115266412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).