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

C7H11N3O — CID 82416882

IUPAC6-(1-aminopropyl)-1H-pyrimidin-2-one
SMILESCCC(N)c1ccnc(=O)[nH]1
InChIInChI=1S/C7H11N3O/c1-2-5(8)6-3-4-9-7(11)10-6/h3-5H,2,8H2,1H3,(H,9,10,11)
InChIKeyBHHRNSHEILWSGQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.18
Rot. Bonds2

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

6-(1-aminopropyl)-1H-pyrimidin-2-one (PubChem CID 82416882) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 6-(1-aminopropyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(1-aminopropyl)-1H-pyrimidin-2-one
PubChem CID82416882
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name6-(1-aminopropyl)-1H-pyrimidin-2-one
SMILESCCC(N)c1ccnc(=O)[nH]1
InChIInChI=1S/C7H11N3O/c1-2-5(8)6-3-4-9-7(11)10-6/h3-5H,2,8H2,1H3,(H,9,10,11)
InChIKeyBHHRNSHEILWSGQ-UHFFFAOYSA-N
XLogP0.18
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Aminoethyl)pyrimidin-2-ol hydrochloride
CID 137951902
4-Ethyl-2-pyrimidinol
CID 49758448
4-(2-Aminoethyl)pyrimidin-2-ol
CID 82593993
6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848427
4-Isopropylpyrimidin-2-ol
CID 21305445
6-butyl-1H-pyrimidin-2-one
CID 21740171
2-Hydroxy-4-(n-propyl)pyrimidine
CID 49758447
6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 58482835
6-pentyl-1H-pyrimidin-2-one
CID 66924486
6-butan-2-yl-1H-pyrimidin-2-one
CID 123306534
6-ethyl-1H-pyrimidin-2-one;molecular hydrogen
CID 144564540
molecular hydrogen;6-propan-2-yl-1H-pyrimidin-2-one
CID 145188115

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopropyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(1-aminopropyl)-1H-pyrimidin-2-one (CID 82416882) is 6-(1-aminopropyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(1-aminopropyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(1-aminopropyl)-1H-pyrimidin-2-one is CCC(N)c1ccnc(=O)[nH]1.
What is the InChIKey of 6-(1-aminopropyl)-1H-pyrimidin-2-one?
The InChIKey is BHHRNSHEILWSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-5(8)6-3-4-9-7(11)10-6/h3-5H,2,8H2,1H3,(H,9,10,11).
What are the key properties of 6-(1-aminopropyl)-1H-pyrimidin-2-one?
6-(1-aminopropyl)-1H-pyrimidin-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminopropyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 82416882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).