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

C9H14N4O2 — CID 136880890

IUPAC5-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N4O2/c10-7(14)3-1-2-4-11-8-5-9(15)13-6-12-8/h5-6H,1-4H2,(H2,10,14)(H2,11,12,13,15)
InChIKeyPHFPRHUULIWBOE-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.16
Rot. Bonds6

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

5-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanamide (PubChem CID 136880890) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
PubChem CID136880890
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N4O2/c10-7(14)3-1-2-4-11-8-5-9(15)13-6-12-8/h5-6H,1-4H2,(H2,10,14)(H2,11,12,13,15)
InChIKeyPHFPRHUULIWBOE-UHFFFAOYSA-N
XLogP-0.16
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.16
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

4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689852
4-(6-aminohexylamino)-1H-pyrimidin-6-one
CID 136755771
5-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136805705
4-[5-aminopentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136829856
5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880883
5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880884
5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880885
5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880887
5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880891
4-(4-aminopentylamino)-1H-pyrimidin-6-one
CID 136902391
4-(butylamino)-1H-pyrimidin-6-one
CID 136955950

Frequently Asked Questions

What is the IUPAC name of 5-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The IUPAC name of 5-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanamide (CID 136880890) is 5-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanamide.
What is the SMILES notation for 5-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The canonical SMILES for 5-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanamide is NC(=O)CCCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 5-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The InChIKey is PHFPRHUULIWBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-7(14)3-1-2-4-11-8-5-9(15)13-6-12-8/h5-6H,1-4H2,(H2,10,14)(H2,11,12,13,15).
What are the key properties of 5-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
5-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanamide has a molecular weight of 210.24 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanamide is sourced from PubChem (CID 136880890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).