N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide

C12H18N4O3 — CID 135802457

IUPACN-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide
SMILESCCCC(=O)Nc1nc[nH]c(=O)c1NC(=O)CCC
InChIInChI=1S/C12H18N4O3/c1-3-5-8(17)15-10-11(13-7-14-12(10)19)16-9(18)6-4-2/h7H,3-6H2,1-2H3,(H,15,17)(H2,13,14,16,18,19)
InChIKeyMWGLVGGXQJJNLF-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.25
Rot. Bonds6

About N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide

N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide (PubChem CID 135802457) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide.

Molecular Properties

Compound NameN-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide
PubChem CID135802457
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide
SMILESCCCC(=O)Nc1nc[nH]c(=O)c1NC(=O)CCC
InChIInChI=1S/C12H18N4O3/c1-3-5-8(17)15-10-11(13-7-14-12(10)19)16-9(18)6-4-2/h7H,3-6H2,1-2H3,(H,15,17)(H2,13,14,16,18,19)
InChIKeyMWGLVGGXQJJNLF-UHFFFAOYSA-N
XLogP1.25
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-oxo-1,7-dihydropurin-2-yl)butanamide
CID 135411165
(Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide
CID 137048002
4-(butanoylamino)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
CID 70266904
N-(2H-triazolo[4,5-d]pyrimidin-7-yl)butanamide
CID 22974760
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide
CID 169130894
N-(5-chloro-1,3-dioxobenzo[e]isoindol-4-yl)butanamide
CID 21401312
N-(1H-1,2,4-triazol-5-yl)butanamide
CID 5020131
N-(1H-indazol-3-yl)-3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 167992530
N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide
CID 130387820
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136974867
N-(5-acetyl-1H-pyrazolo[3,4-b]pyridin-4-yl)butanamide
CID 70038763
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136972316

Frequently Asked Questions

What is the IUPAC name of N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide?
The IUPAC name of N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide (CID 135802457) is N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide.
What is the SMILES notation for N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide?
The canonical SMILES for N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide is CCCC(=O)Nc1nc[nH]c(=O)c1NC(=O)CCC.
What is the InChIKey of N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide?
The InChIKey is MWGLVGGXQJJNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-5-8(17)15-10-11(13-7-14-12(10)19)16-9(18)6-4-2/h7H,3-6H2,1-2H3,(H,15,17)(H2,13,14,16,18,19).
What are the key properties of N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide?
N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide has a molecular weight of 266.30 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide is sourced from PubChem (CID 135802457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).