6-(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione

C8H13N3O2 — CID 67923881

IUPAC6-(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione
SMILESCCCn1c(=O)cc(CN)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-2-3-11-7(12)4-6(5-9)10-8(11)13/h4H,2-3,5,9H2,1H3,(H,10,13)
InChIKeyJGWSDNVIHQXZNN-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.59
Rot. Bonds3

About 6-(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione

6-(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione (PubChem CID 67923881) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 6-(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione
PubChem CID67923881
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name6-(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione
SMILESCCCn1c(=O)cc(CN)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-2-3-11-7(12)4-6(5-9)10-8(11)13/h4H,2-3,5,9H2,1H3,(H,10,13)
InChIKeyJGWSDNVIHQXZNN-UHFFFAOYSA-N
XLogP-0.59
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione (CID 67923881) is 6-(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione is CCCn1c(=O)cc(CN)[nH]c1=O.
What is the InChIKey of 6-(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is JGWSDNVIHQXZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-3-11-7(12)4-6(5-9)10-8(11)13/h4H,2-3,5,9H2,1H3,(H,10,13).
What are the key properties of 6-(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione?
6-(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67923881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).