5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide

C9H13ClN4O2 — CID 136880885

IUPAC5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H13ClN4O2/c10-7-8(13-5-14-9(7)16)12-4-2-1-3-6(11)15/h5H,1-4H2,(H2,11,15)(H2,12,13,14,16)
InChIKeyKRYFKTAUMJYYHM-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.49
Rot. Bonds6

About 5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide

5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide (PubChem CID 136880885) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
PubChem CID136880885
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H13ClN4O2/c10-7-8(13-5-14-9(7)16)12-4-2-1-3-6(11)15/h5H,1-4H2,(H2,11,15)(H2,12,13,14,16)
InChIKeyKRYFKTAUMJYYHM-UHFFFAOYSA-N
XLogP0.49
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.49
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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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The IUPAC name of 5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide (CID 136880885) is 5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide.
What is the SMILES notation for 5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The canonical SMILES for 5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide is NC(=O)CCCCNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The InChIKey is KRYFKTAUMJYYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c10-7-8(13-5-14-9(7)16)12-4-2-1-3-6(11)15/h5H,1-4H2,(H2,11,15)(H2,12,13,14,16).
What are the key properties of 5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide has a molecular weight of 244.68 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide is sourced from PubChem (CID 136880885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).