5-(3-aminopropyl)-2-methyl-1H-pyrimidin-6-one

C8H13N3O — CID 82503022

IUPAC5-(3-aminopropyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(CCCN)c(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-6-10-5-7(3-2-4-9)8(12)11-6/h5H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyLNFCDRPIQOPLFF-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.03
Rot. Bonds3

About 5-(3-aminopropyl)-2-methyl-1H-pyrimidin-6-one

5-(3-aminopropyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 82503022) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-(3-aminopropyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID82503022
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-(3-aminopropyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(CCCN)c(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-6-10-5-7(3-2-4-9)8(12)11-6/h5H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyLNFCDRPIQOPLFF-UHFFFAOYSA-N
XLogP-0.03
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pyrimidinol, 6-amino-5-butyl-2-methyl-
CID 135854955
4-Pyrimidinol, 6-amino-2-methyl-5-propyl-
CID 135854961
5-ethyl-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 152078762
Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one
CID 22943314
2-cyclopropyl-5-propyl-1H-pyrimidin-6-one
CID 23465438
2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one
CID 23465452
2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 24903697
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 24903855
2,5-diethyl-1H-pyrimidin-6-one
CID 53918073

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-aminopropyl)-2-methyl-1H-pyrimidin-6-one (CID 82503022) is 5-(3-aminopropyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-aminopropyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-aminopropyl)-2-methyl-1H-pyrimidin-6-one is Cc1ncc(CCCN)c(=O)[nH]1.
What is the InChIKey of 5-(3-aminopropyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is LNFCDRPIQOPLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-10-5-7(3-2-4-9)8(12)11-6/h5H,2-4,9H2,1H3,(H,10,11,12).
What are the key properties of 5-(3-aminopropyl)-2-methyl-1H-pyrimidin-6-one?
5-(3-aminopropyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 82503022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).