N-[6-oxo-4-(pentanoylamino)-1H-pyrimidin-5-yl]pentanamide

C14H22N4O3 — CID 135802458

IUPACN-[6-oxo-4-(pentanoylamino)-1H-pyrimidin-5-yl]pentanamide
SMILESCCCCC(=O)Nc1nc[nH]c(=O)c1NC(=O)CCCC
InChIInChI=1S/C14H22N4O3/c1-3-5-7-10(19)17-12-13(15-9-16-14(12)21)18-11(20)8-6-4-2/h9H,3-8H2,1-2H3,(H,17,19)(H2,15,16,18,20,21)
InChIKeyMPLLFSFCHGMXBM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.03
Rot. Bonds8

About N-[6-oxo-4-(pentanoylamino)-1H-pyrimidin-5-yl]pentanamide

N-[6-oxo-4-(pentanoylamino)-1H-pyrimidin-5-yl]pentanamide (PubChem CID 135802458) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[6-oxo-4-(pentanoylamino)-1H-pyrimidin-5-yl]pentanamide.

Molecular Properties

Compound NameN-[6-oxo-4-(pentanoylamino)-1H-pyrimidin-5-yl]pentanamide
PubChem CID135802458
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-[6-oxo-4-(pentanoylamino)-1H-pyrimidin-5-yl]pentanamide
SMILESCCCCC(=O)Nc1nc[nH]c(=O)c1NC(=O)CCCC
InChIInChI=1S/C14H22N4O3/c1-3-5-7-10(19)17-12-13(15-9-16-14(12)21)18-11(20)8-6-4-2/h9H,3-8H2,1-2H3,(H,17,19)(H2,15,16,18,20,21)
InChIKeyMPLLFSFCHGMXBM-UHFFFAOYSA-N
XLogP2.03
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-oxo-4-(pentanoylamino)-1H-pyrimidin-5-yl]pentanamide?
The IUPAC name of N-[6-oxo-4-(pentanoylamino)-1H-pyrimidin-5-yl]pentanamide (CID 135802458) is N-[6-oxo-4-(pentanoylamino)-1H-pyrimidin-5-yl]pentanamide.
What is the SMILES notation for N-[6-oxo-4-(pentanoylamino)-1H-pyrimidin-5-yl]pentanamide?
The canonical SMILES for N-[6-oxo-4-(pentanoylamino)-1H-pyrimidin-5-yl]pentanamide is CCCCC(=O)Nc1nc[nH]c(=O)c1NC(=O)CCCC.
What is the InChIKey of N-[6-oxo-4-(pentanoylamino)-1H-pyrimidin-5-yl]pentanamide?
The InChIKey is MPLLFSFCHGMXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-5-7-10(19)17-12-13(15-9-16-14(12)21)18-11(20)8-6-4-2/h9H,3-8H2,1-2H3,(H,17,19)(H2,15,16,18,20,21).
What are the key properties of N-[6-oxo-4-(pentanoylamino)-1H-pyrimidin-5-yl]pentanamide?
N-[6-oxo-4-(pentanoylamino)-1H-pyrimidin-5-yl]pentanamide has a molecular weight of 294.35 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-oxo-4-(pentanoylamino)-1H-pyrimidin-5-yl]pentanamide is sourced from PubChem (CID 135802458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).