5-(1-amino-2-hydroxyethyl)-3-cyclopropyl-2-methylpyrimidin-4-one

C10H15N3O2 — CID 83884403

IUPAC5-(1-amino-2-hydroxyethyl)-3-cyclopropyl-2-methylpyrimidin-4-one
SMILESCc1ncc(C(N)CO)c(=O)n1C1CC1
InChIInChI=1S/C10H15N3O2/c1-6-12-4-8(9(11)5-14)10(15)13(6)7-2-3-7/h4,7,9,14H,2-3,5,11H2,1H3
InChIKeyCWULIBQXXGGXPG-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.12
Rot. Bonds3

About 5-(1-amino-2-hydroxyethyl)-3-cyclopropyl-2-methylpyrimidin-4-one

5-(1-amino-2-hydroxyethyl)-3-cyclopropyl-2-methylpyrimidin-4-one (PubChem CID 83884403) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(1-amino-2-hydroxyethyl)-3-cyclopropyl-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-(1-amino-2-hydroxyethyl)-3-cyclopropyl-2-methylpyrimidin-4-one
PubChem CID83884403
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-(1-amino-2-hydroxyethyl)-3-cyclopropyl-2-methylpyrimidin-4-one
SMILESCc1ncc(C(N)CO)c(=O)n1C1CC1
InChIInChI=1S/C10H15N3O2/c1-6-12-4-8(9(11)5-14)10(15)13(6)7-2-3-7/h4,7,9,14H,2-3,5,11H2,1H3
InChIKeyCWULIBQXXGGXPG-UHFFFAOYSA-N
XLogP-0.12
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-hydroxyethyl)-3-cyclopropyl-2-methylpyrimidin-4-one?
The IUPAC name of 5-(1-amino-2-hydroxyethyl)-3-cyclopropyl-2-methylpyrimidin-4-one (CID 83884403) is 5-(1-amino-2-hydroxyethyl)-3-cyclopropyl-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-(1-amino-2-hydroxyethyl)-3-cyclopropyl-2-methylpyrimidin-4-one?
The canonical SMILES for 5-(1-amino-2-hydroxyethyl)-3-cyclopropyl-2-methylpyrimidin-4-one is Cc1ncc(C(N)CO)c(=O)n1C1CC1.
What is the InChIKey of 5-(1-amino-2-hydroxyethyl)-3-cyclopropyl-2-methylpyrimidin-4-one?
The InChIKey is CWULIBQXXGGXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-12-4-8(9(11)5-14)10(15)13(6)7-2-3-7/h4,7,9,14H,2-3,5,11H2,1H3.
What are the key properties of 5-(1-amino-2-hydroxyethyl)-3-cyclopropyl-2-methylpyrimidin-4-one?
5-(1-amino-2-hydroxyethyl)-3-cyclopropyl-2-methylpyrimidin-4-one has a molecular weight of 209.25 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-hydroxyethyl)-3-cyclopropyl-2-methylpyrimidin-4-one is sourced from PubChem (CID 83884403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).