4-(aminomethyl)-1-propylpyrimidin-2-one

C8H13N3O — CID 143039118

IUPAC4-(aminomethyl)-1-propylpyrimidin-2-one
SMILESCCCn1ccc(CN)nc1=O
InChIInChI=1S/C8H13N3O/c1-2-4-11-5-3-7(6-9)10-8(11)12/h3,5H,2,4,6,9H2,1H3
InChIKeyFWJIWSSGNOFZMP-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.11
Rot. Bonds3

About 4-(aminomethyl)-1-propylpyrimidin-2-one

4-(aminomethyl)-1-propylpyrimidin-2-one (PubChem CID 143039118) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(aminomethyl)-1-propylpyrimidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-propylpyrimidin-2-one
PubChem CID143039118
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-(aminomethyl)-1-propylpyrimidin-2-one
SMILESCCCn1ccc(CN)nc1=O
InChIInChI=1S/C8H13N3O/c1-2-4-11-5-3-7(6-9)10-8(11)12/h3,5H,2,4,6,9H2,1H3
InChIKeyFWJIWSSGNOFZMP-UHFFFAOYSA-N
XLogP0.11
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Dimethylpyrimidin-2(1H)-one
CID 20494286
1-(2-Fluoroethyl)-4-methylpyrimidin-2-one
CID 130485278
4-Methyl-1-propan-2-ylpyrimidin-2-one
CID 20735989
1-Tert-butyl-4-methylpyrimidin-2-one
CID 57816392
3,4-dimethyl-1H-pyrimidin-3-ium-2-one
CID 59966349
3-ethyl-4-methyl-1H-pyrimidin-3-ium-2-one
CID 68421517
1-Ethyl-4-methylpyrimidin-2-one
CID 68421518
3,4-dipropyl-1H-pyrimidin-3-ium-2-one chloride
CID 69715483
3,4-dipropyl-1H-pyrimidin-3-ium-2-one
CID 69715484
1,4-Diethylpyrimidin-2-one
CID 89508919
N-[(azet-2-ylmethylamino)methyl]-N-ethylformamide
CID 90746235
4-Methyl-1-pentylpyrimidin-2-one
CID 91215679

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-propylpyrimidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-propylpyrimidin-2-one (CID 143039118) is 4-(aminomethyl)-1-propylpyrimidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-propylpyrimidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-propylpyrimidin-2-one is CCCn1ccc(CN)nc1=O.
What is the InChIKey of 4-(aminomethyl)-1-propylpyrimidin-2-one?
The InChIKey is FWJIWSSGNOFZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-4-11-5-3-7(6-9)10-8(11)12/h3,5H,2,4,6,9H2,1H3.
What are the key properties of 4-(aminomethyl)-1-propylpyrimidin-2-one?
4-(aminomethyl)-1-propylpyrimidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-propylpyrimidin-2-one is sourced from PubChem (CID 143039118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).