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

C7H11N3O — CID 83845558

IUPAC6-(3-aminopropyl)-1H-pyrimidin-2-one
SMILESNCCCc1ccnc(=O)[nH]1
InChIInChI=1S/C7H11N3O/c8-4-1-2-6-3-5-9-7(11)10-6/h3,5H,1-2,4,8H2,(H,9,10,11)
InChIKeyJZFVOWVEYUPDGU-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.34
Rot. Bonds3

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

6-(3-aminopropyl)-1H-pyrimidin-2-one (PubChem CID 83845558) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 6-(3-aminopropyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(3-aminopropyl)-1H-pyrimidin-2-one
PubChem CID83845558
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name6-(3-aminopropyl)-1H-pyrimidin-2-one
SMILESNCCCc1ccnc(=O)[nH]1
InChIInChI=1S/C7H11N3O/c8-4-1-2-6-3-5-9-7(11)10-6/h3,5H,1-2,4,8H2,(H,9,10,11)
InChIKeyJZFVOWVEYUPDGU-UHFFFAOYSA-N
XLogP-0.34
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Cyclopropyl-1,2-dihydropyrimidin-2-one
CID 49758449
6-(cyclopenten-1-ylamino)-1H-pyrimidin-2-one
CID 154194
4-(2-Aminoethyl)pyrimidin-2-ol hydrochloride
CID 137951902
4-Ethyl-2-pyrimidinol
CID 49758448
6-[(1S,2R)-2-fluorocyclopropyl]-1H-pyrimidin-2-one
CID 177328673
Methylendipyrimidinon
CID 129648780
4-Dihydro-6-methyl-4-phenyl pyrimidin-2(1h)-one
CID 129845312
4-(2-Aminoethyl)pyrimidin-2-ol
CID 82593993
6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83849649
6-(1-fluoroethyl)-1H-pyrimidin-2-one
CID 147189139
6-prop-2-enyl-1H-pyrimidin-2-one
CID 19858299
4-Isopropylpyrimidin-2-ol
CID 21305445

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(3-aminopropyl)-1H-pyrimidin-2-one (CID 83845558) is 6-(3-aminopropyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(3-aminopropyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(3-aminopropyl)-1H-pyrimidin-2-one is NCCCc1ccnc(=O)[nH]1.
What is the InChIKey of 6-(3-aminopropyl)-1H-pyrimidin-2-one?
The InChIKey is JZFVOWVEYUPDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c8-4-1-2-6-3-5-9-7(11)10-6/h3,5H,1-2,4,8H2,(H,9,10,11).
What are the key properties of 6-(3-aminopropyl)-1H-pyrimidin-2-one?
6-(3-aminopropyl)-1H-pyrimidin-2-one has a molecular weight of 153.19 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 83845558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).