5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide

C10H19N3O — CID 153406061

IUPAC5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide
SMILESCN1CCCN=C1CCCCC(N)=O
InChIInChI=1S/C10H19N3O/c1-13-8-4-7-12-10(13)6-3-2-5-9(11)14/h2-8H2,1H3,(H2,11,14)
InChIKeyPBTZBLRQAPOJMQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.77
Rot. Bonds5

About 5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide

5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide (PubChem CID 153406061) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide.

Molecular Properties

Compound Name5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide
PubChem CID153406061
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide
SMILESCN1CCCN=C1CCCCC(N)=O
InChIInChI=1S/C10H19N3O/c1-13-8-4-7-12-10(13)6-3-2-5-9(11)14/h2-8H2,1H3,(H2,11,14)
InChIKeyPBTZBLRQAPOJMQ-UHFFFAOYSA-N
XLogP0.77
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide?
The IUPAC name of 5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide (CID 153406061) is 5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide.
What is the SMILES notation for 5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide?
The canonical SMILES for 5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide is CN1CCCN=C1CCCCC(N)=O.
What is the InChIKey of 5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide?
The InChIKey is PBTZBLRQAPOJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-13-8-4-7-12-10(13)6-3-2-5-9(11)14/h2-8H2,1H3,(H2,11,14).
What are the key properties of 5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide?
5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide has a molecular weight of 197.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide is sourced from PubChem (CID 153406061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).