4-N-(4-aminobutan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine

C13H23N5 — CID 115263991

IUPAC4-N-(4-aminobutan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine
SMILESCC(CCN)Nc1cc(NCC2CCC2)ncn1
InChIInChI=1S/C13H23N5/c1-10(5-6-14)18-13-7-12(16-9-17-13)15-8-11-3-2-4-11/h7,9-11H,2-6,8,14H2,1H3,(H2,15,16,17,18)
InChIKeyBODYBLGKKGHHCH-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.84
Rot. Bonds7

About 4-N-(4-aminobutan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine

4-N-(4-aminobutan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine (PubChem CID 115263991) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N-(4-aminobutan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-aminobutan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine
PubChem CID115263991
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-(4-aminobutan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine
SMILESCC(CCN)Nc1cc(NCC2CCC2)ncn1
InChIInChI=1S/C13H23N5/c1-10(5-6-14)18-13-7-12(16-9-17-13)15-8-11-3-2-4-11/h7,9-11H,2-6,8,14H2,1H3,(H2,15,16,17,18)
InChIKeyBODYBLGKKGHHCH-UHFFFAOYSA-N
XLogP1.84
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-aminobutan-2-yl)-6-N-(cyclopentylmethyl)pyrimidine-4,6-diamine
CID 115263990
3-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]amino]butanoic acid
CID 115264351
4-N-(1-amino-2-methylpropan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine
CID 115263895
N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine
CID 115416489
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
(2S)-2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]-3-methylbutanoic acid
CID 120964365
(2R)-2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]-3-methylbutanoic acid
CID 120964740
N-(cyclobutylmethyl)-6-propylpyrimidin-4-amine
CID 61241873
N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine
CID 106128479
N-[(3-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 106128246
6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 80908827
(1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 97245444

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-aminobutan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-aminobutan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine (CID 115263991) is 4-N-(4-aminobutan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-aminobutan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-aminobutan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine is CC(CCN)Nc1cc(NCC2CCC2)ncn1.
What is the InChIKey of 4-N-(4-aminobutan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine?
The InChIKey is BODYBLGKKGHHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10(5-6-14)18-13-7-12(16-9-17-13)15-8-11-3-2-4-11/h7,9-11H,2-6,8,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(4-aminobutan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine?
4-N-(4-aminobutan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-aminobutan-2-yl)-6-N-(cyclobutylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115263991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).