6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione

C15H26N4O2 — CID 115637540

IUPAC6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCCCC2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C15H26N4O2/c1-3-4-10-19-13(16)12(14(20)18(2)15(19)21)17-9-5-6-11-7-8-11/h11,17H,3-10,16H2,1-2H3
InChIKeyYXCZBMQXJJJJJQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.53
Rot. Bonds8

About 6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione

6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione (PubChem CID 115637540) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione
PubChem CID115637540
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCCCC2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C15H26N4O2/c1-3-4-10-19-13(16)12(14(20)18(2)15(19)21)17-9-5-6-11-7-8-11/h11,17H,3-10,16H2,1-2H3
InChIKeyYXCZBMQXJJJJJQ-UHFFFAOYSA-N
XLogP1.53
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione
CID 60676616
6-amino-1-butyl-5-(2,2-dimethylbutylamino)-3-methylpyrimidine-2,4-dione
CID 103462651
6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione
CID 115624744
6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione
CID 61362996
6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione
CID 79480764
6-amino-5-(butylamino)-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione;hydrochloride
CID 54603641
6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106158493
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea
CID 83112782
6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione
CID 104577376
6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione
CID 60676346
6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106144538
6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione
CID 106405156

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione (CID 115637540) is 6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione is CCCCn1c(N)c(NCCCC2CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione?
The InChIKey is YXCZBMQXJJJJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-4-10-19-13(16)12(14(20)18(2)15(19)21)17-9-5-6-11-7-8-11/h11,17H,3-10,16H2,1-2H3.
What are the key properties of 6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione?
6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione has a molecular weight of 294.40 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 115637540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).