5-(2-aminoethylamino)-6-methyl-1H-pyrimidin-2-one

C7H12N4O — CID 117211408

IUPAC5-(2-aminoethylamino)-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)ncc1NCCN
InChIInChI=1S/C7H12N4O/c1-5-6(9-3-2-8)4-10-7(12)11-5/h4,9H,2-3,8H2,1H3,(H,10,11,12)
InChIKeyKQCWVFZAYJEVSU-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.55
Rot. Bonds3

About 5-(2-aminoethylamino)-6-methyl-1H-pyrimidin-2-one

5-(2-aminoethylamino)-6-methyl-1H-pyrimidin-2-one (PubChem CID 117211408) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-6-methyl-1H-pyrimidin-2-one
PubChem CID117211408
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name5-(2-aminoethylamino)-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)ncc1NCCN
InChIInChI=1S/C7H12N4O/c1-5-6(9-3-2-8)4-10-7(12)11-5/h4,9H,2-3,8H2,1H3,(H,10,11,12)
InChIKeyKQCWVFZAYJEVSU-UHFFFAOYSA-N
XLogP-0.55
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 5-(2-aminoethylamino)-6-methyl-1H-pyrimidin-2-one (CID 117211408) is 5-(2-aminoethylamino)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(2-aminoethylamino)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-(2-aminoethylamino)-6-methyl-1H-pyrimidin-2-one is Cc1[nH]c(=O)ncc1NCCN.
What is the InChIKey of 5-(2-aminoethylamino)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is KQCWVFZAYJEVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5-6(9-3-2-8)4-10-7(12)11-5/h4,9H,2-3,8H2,1H3,(H,10,11,12).
What are the key properties of 5-(2-aminoethylamino)-6-methyl-1H-pyrimidin-2-one?
5-(2-aminoethylamino)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 117211408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).