5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide

C10H16N4O2 — CID 136880883

IUPAC5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
SMILESCc1nc(NCCCCC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c1-7-13-9(6-10(16)14-7)12-5-3-2-4-8(11)15/h6H,2-5H2,1H3,(H2,11,15)(H2,12,13,14,16)
InChIKeyDMEQKBMVEIIRDD-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.15
Rot. Bonds6

About 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide

5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide (PubChem CID 136880883) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
PubChem CID136880883
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
SMILESCc1nc(NCCCCC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c1-7-13-9(6-10(16)14-7)12-5-3-2-4-8(11)15/h6H,2-5H2,1H3,(H2,11,15)(H2,12,13,14,16)
InChIKeyDMEQKBMVEIIRDD-UHFFFAOYSA-N
XLogP0.15
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.15
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-(butylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818517
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518
4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818519
2-propyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278176
2-(3-aminopropyl)-4-(dimethylamino)-1H-pyrimidin-6-one
CID 136316813
N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136687971
4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136689848
4-(5-aminopentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136689850
4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136689851
4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136755774
4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136755777
3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide
CID 136782503

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The IUPAC name of 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide (CID 136880883) is 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide.
What is the SMILES notation for 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The canonical SMILES for 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide is Cc1nc(NCCCCC(N)=O)cc(=O)[nH]1.
What is the InChIKey of 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The InChIKey is DMEQKBMVEIIRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-13-9(6-10(16)14-7)12-5-3-2-4-8(11)15/h6H,2-5H2,1H3,(H2,11,15)(H2,12,13,14,16).
What are the key properties of 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide has a molecular weight of 224.26 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide is sourced from PubChem (CID 136880883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).