1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one

C15H26N4O — CID 174832619

IUPAC1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one
SMILESCCCCCNC(C(=O)c1cnc(N)nc1C)C(C)C
InChIInChI=1S/C15H26N4O/c1-5-6-7-8-17-13(10(2)3)14(20)12-9-18-15(16)19-11(12)4/h9-10,13,17H,5-8H2,1-4H3,(H2,16,18,19)
InChIKeyGZVCTGMOVZPJKE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.35
Rot. Bonds8

About 1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one

1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one (PubChem CID 174832619) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one.

Molecular Properties

Compound Name1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one
PubChem CID174832619
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one
SMILESCCCCCNC(C(=O)c1cnc(N)nc1C)C(C)C
InChIInChI=1S/C15H26N4O/c1-5-6-7-8-17-13(10(2)3)14(20)12-9-18-15(16)19-11(12)4/h9-10,13,17H,5-8H2,1-4H3,(H2,16,18,19)
InChIKeyGZVCTGMOVZPJKE-UHFFFAOYSA-N
XLogP2.35
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.35
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

1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one;hydrate
CID 174832618
1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-2-(pentylamino)butan-1-one
CID 175314076
3-methyl-2-(pentylamino)butanamide
CID 103914102
(2S)-3-methyl-2-(tetradecylamino)butanamide
CID 54544525
methyl 2-(dodecylamino)-3-methylbutanoate
CID 63402058
2-[2-[5-[[1-(2-carbamoylphenyl)-3-methyl-1-oxobutan-2-yl]amino]pentylamino]-3-methylbutanoyl]benzamide
CID 71117452
2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide
CID 175874381
ethyl 2-(heptylamino)propanoate
CID 61498650
ethyl 2-(hexylamino)propanoate
CID 13388952
4-amino-6-methyl-N-octan-2-ylpyridine-3-carboxamide
CID 81243070
2-[2-[8-[[1-[2-carbamoyl-5-(1H-imidazol-5-yl)phenyl]-3-methyl-1-oxobutan-2-yl]amino]octylamino]-3-methylbutanoyl]-4-(1H-imidazol-5-yl)benzamide
CID 71117777
4-amino-6-(pentylamino)pyridine-3-carboxylic acid
CID 112517916

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one?
The IUPAC name of 1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one (CID 174832619) is 1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one.
What is the SMILES notation for 1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one?
The canonical SMILES for 1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one is CCCCCNC(C(=O)c1cnc(N)nc1C)C(C)C.
What is the InChIKey of 1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one?
The InChIKey is GZVCTGMOVZPJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-6-7-8-17-13(10(2)3)14(20)12-9-18-15(16)19-11(12)4/h9-10,13,17H,5-8H2,1-4H3,(H2,16,18,19).
What are the key properties of 1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one?
1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one has a molecular weight of 278.40 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one is sourced from PubChem (CID 174832619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).