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

C14H25N5 — CID 115263965

IUPAC4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine
SMILESCNCCCNc1cc(NCCC2CCC2)ncn1
InChIInChI=1S/C14H25N5/c1-15-7-3-8-16-13-10-14(19-11-18-13)17-9-6-12-4-2-5-12/h10-12,15H,2-9H2,1H3,(H2,16,17,18,19)
InChIKeyOEKOVXKMBXNBKR-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.10
Rot. Bonds9

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

4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine (PubChem CID 115263965) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine
PubChem CID115263965
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine
SMILESCNCCCNc1cc(NCCC2CCC2)ncn1
InChIInChI=1S/C14H25N5/c1-15-7-3-8-16-13-10-14(19-11-18-13)17-9-6-12-4-2-5-12/h10-12,15H,2-9H2,1H3,(H2,16,17,18,19)
InChIKeyOEKOVXKMBXNBKR-UHFFFAOYSA-N
XLogP2.10
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.10
H-Bond Donors ≤ 53
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-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014887
6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile
CID 115143093
2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264917
6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
CID 115265570
N-(2-cyclopentylethyl)-6-propylpyrimidin-4-amine
CID 61241874
4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine
CID 115264162
N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine
CID 106012599
1-[[6-(2-cyclobutylethylamino)pyrimidin-4-yl]-methylamino]propan-2-one
CID 115266298
6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 66329019
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
6-N-[3-(methylamino)propyl]-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 115263939
4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80841357

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine (CID 115263965) is 4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine is CNCCCNc1cc(NCCC2CCC2)ncn1.
What is the InChIKey of 4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine?
The InChIKey is OEKOVXKMBXNBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-15-7-3-8-16-13-10-14(19-11-18-13)17-9-6-12-4-2-5-12/h10-12,15H,2-9H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine?
4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine has a molecular weight of 263.39 g/mol, XLogP of 2.10, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 115263965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).