4-[2-(aminomethyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one

C10H13N5O — CID 137008289

IUPAC4-[2-(aminomethyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(-n2ccnc2CN)cc(=O)[nH]1
InChIInChI=1S/C10H13N5O/c1-2-7-13-8(5-10(16)14-7)15-4-3-12-9(15)6-11/h3-5H,2,6,11H2,1H3,(H,13,14,16)
InChIKeySQYQHQJTXXYIBA-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.02
Rot. Bonds3

About 4-[2-(aminomethyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one

4-[2-(aminomethyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 137008289) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-[2-(aminomethyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one
PubChem CID137008289
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-[2-(aminomethyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(-n2ccnc2CN)cc(=O)[nH]1
InChIInChI=1S/C10H13N5O/c1-2-7-13-8(5-10(16)14-7)15-4-3-12-9(15)6-11/h3-5H,2,6,11H2,1H3,(H,13,14,16)
InChIKeySQYQHQJTXXYIBA-UHFFFAOYSA-N
XLogP-0.02
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one (CID 137008289) is 4-[2-(aminomethyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(-n2ccnc2CN)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(aminomethyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is SQYQHQJTXXYIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-7-13-8(5-10(16)14-7)15-4-3-12-9(15)6-11/h3-5H,2,6,11H2,1H3,(H,13,14,16).
What are the key properties of 4-[2-(aminomethyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one?
4-[2-(aminomethyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 219.25 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137008289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).