1-(butylamino)-5-propan-2-ylpyrimidine-2,4-dione

C11H19N3O2 — CID 163496588

IUPAC1-(butylamino)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCCCNn1cc(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C11H19N3O2/c1-4-5-6-12-14-7-9(8(2)3)10(15)13-11(14)16/h7-8,12H,4-6H2,1-3H3,(H,13,15,16)
InChIKeyCRGFLXMQEUMGGP-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.00
Rot. Bonds5

About 1-(butylamino)-5-propan-2-ylpyrimidine-2,4-dione

1-(butylamino)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 163496588) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(butylamino)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(butylamino)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID163496588
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(butylamino)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCCCNn1cc(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C11H19N3O2/c1-4-5-6-12-14-7-9(8(2)3)10(15)13-11(14)16/h7-8,12H,4-6H2,1-3H3,(H,13,15,16)
InChIKeyCRGFLXMQEUMGGP-UHFFFAOYSA-N
XLogP1.00
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Thyminylputrescine
CID 54537159
N,N-diethyl-3-oxo-4-propan-2-yl-1H-pyrazole-2-carboxamide
CID 20435280
N-butyl-N-ethyl-3-oxo-4-propan-2-yl-1H-pyrazole-2-carboxamide
CID 20435281
3-oxo-4-propan-2-yl-1H-pyrazole-2-carboxamide
CID 20435282
N-ethyl-N-methyl-3-oxo-4-propan-2-yl-1H-pyrazole-2-carboxamide
CID 20435283
3-oxo-N,4-di(propan-2-yl)-N-propyl-1H-pyrazole-2-carboxamide
CID 20435284
N-butyl-N-(2-methylpropyl)-3-oxo-4-propan-2-yl-1H-pyrazole-2-carboxamide
CID 20435285
N-butyl-3-oxo-N,4-di(propan-2-yl)-1H-pyrazole-2-carboxamide
CID 20435286
3-oxo-4-propan-2-yl-N,N-dipropyl-1H-pyrazole-2-carboxamide
CID 20435287
N-ethyl-3-oxo-N,4-di(propan-2-yl)-1H-pyrazole-2-carboxamide
CID 20435290
3-oxo-N,N,4-tri(propan-2-yl)-1H-pyrazole-2-carboxamide
CID 20435291
N-methyl-3-oxo-4-propan-2-yl-N-propyl-1H-pyrazole-2-carboxamide
CID 20435292

Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-(butylamino)-5-propan-2-ylpyrimidine-2,4-dione (CID 163496588) is 1-(butylamino)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(butylamino)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-(butylamino)-5-propan-2-ylpyrimidine-2,4-dione is CCCCNn1cc(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 1-(butylamino)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is CRGFLXMQEUMGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-5-6-12-14-7-9(8(2)3)10(15)13-11(14)16/h7-8,12H,4-6H2,1-3H3,(H,13,15,16).
What are the key properties of 1-(butylamino)-5-propan-2-ylpyrimidine-2,4-dione?
1-(butylamino)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 163496588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).