4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide

C11H16N4O2 — CID 136974135

IUPAC4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESNC(=O)CCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H16N4O2/c12-8(16)2-1-5-13-9-6-10(17)15-11(14-9)7-3-4-7/h6-7H,1-5H2,(H2,12,16)(H2,13,14,15,17)
InChIKeyRTOHXYGKEUFKEF-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.32
Rot. Bonds6

About 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide

4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide (PubChem CID 136974135) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
PubChem CID136974135
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESNC(=O)CCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H16N4O2/c12-8(16)2-1-5-13-9-6-10(17)15-11(14-9)7-3-4-7/h6-7H,1-5H2,(H2,12,16)(H2,13,14,15,17)
InChIKeyRTOHXYGKEUFKEF-UHFFFAOYSA-N
XLogP0.32
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958938
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 137016695
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974133
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate
CID 136977515
2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883380
2-cyclopropyl-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976032
4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974636
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The IUPAC name of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide (CID 136974135) is 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide is NC(=O)CCCNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The InChIKey is RTOHXYGKEUFKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-8(16)2-1-5-13-9-6-10(17)15-11(14-9)7-3-4-7/h6-7H,1-5H2,(H2,12,16)(H2,13,14,15,17).
What are the key properties of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide has a molecular weight of 236.27 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 136974135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).