2-amino-6-[(1S,2R)-2-[3-(2-hydroxyethyl)phenyl]cyclopropyl]-3-methylpyrimidin-4-one

C16H19N3O2 — CID 72944437

IUPAC2-amino-6-[(1S,2R)-2-[3-(2-hydroxyethyl)phenyl]cyclopropyl]-3-methylpyrimidin-4-one
SMILESCn1c(N)nc([C@H]2C[C@H]2c2cccc(CCO)c2)cc1=O
InChIInChI=1S/C16H19N3O2/c1-19-15(21)9-14(18-16(19)17)13-8-12(13)11-4-2-3-10(7-11)5-6-20/h2-4,7,9,12-13,20H,5-6,8H2,1H3,(H2,17,18)/t12-,13-/m0/s1
InChIKeyFHFJDANRXFQJJD-STQMWFEESA-N
MW285.35 g/mol
LogP1.17
Rot. Bonds4

About 2-amino-6-[(1S,2R)-2-[3-(2-hydroxyethyl)phenyl]cyclopropyl]-3-methylpyrimidin-4-one

2-amino-6-[(1S,2R)-2-[3-(2-hydroxyethyl)phenyl]cyclopropyl]-3-methylpyrimidin-4-one (PubChem CID 72944437) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-amino-6-[(1S,2R)-2-[3-(2-hydroxyethyl)phenyl]cyclopropyl]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[(1S,2R)-2-[3-(2-hydroxyethyl)phenyl]cyclopropyl]-3-methylpyrimidin-4-one
PubChem CID72944437
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-amino-6-[(1S,2R)-2-[3-(2-hydroxyethyl)phenyl]cyclopropyl]-3-methylpyrimidin-4-one
SMILESCn1c(N)nc([C@H]2C[C@H]2c2cccc(CCO)c2)cc1=O
InChIInChI=1S/C16H19N3O2/c1-19-15(21)9-14(18-16(19)17)13-8-12(13)11-4-2-3-10(7-11)5-6-20/h2-4,7,9,12-13,20H,5-6,8H2,1H3,(H2,17,18)/t12-,13-/m0/s1
InChIKeyFHFJDANRXFQJJD-STQMWFEESA-N
XLogP1.17
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(1S,2R)-2-[3-(2-hydroxyethyl)phenyl]cyclopropyl]-3-methylpyrimidin-4-one?
The IUPAC name of 2-amino-6-[(1S,2R)-2-[3-(2-hydroxyethyl)phenyl]cyclopropyl]-3-methylpyrimidin-4-one (CID 72944437) is 2-amino-6-[(1S,2R)-2-[3-(2-hydroxyethyl)phenyl]cyclopropyl]-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[(1S,2R)-2-[3-(2-hydroxyethyl)phenyl]cyclopropyl]-3-methylpyrimidin-4-one?
The canonical SMILES for 2-amino-6-[(1S,2R)-2-[3-(2-hydroxyethyl)phenyl]cyclopropyl]-3-methylpyrimidin-4-one is Cn1c(N)nc([C@H]2C[C@H]2c2cccc(CCO)c2)cc1=O.
What is the InChIKey of 2-amino-6-[(1S,2R)-2-[3-(2-hydroxyethyl)phenyl]cyclopropyl]-3-methylpyrimidin-4-one?
The InChIKey is FHFJDANRXFQJJD-STQMWFEESA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19-15(21)9-14(18-16(19)17)13-8-12(13)11-4-2-3-10(7-11)5-6-20/h2-4,7,9,12-13,20H,5-6,8H2,1H3,(H2,17,18)/t12-,13-/m0/s1.
What are the key properties of 2-amino-6-[(1S,2R)-2-[3-(2-hydroxyethyl)phenyl]cyclopropyl]-3-methylpyrimidin-4-one?
2-amino-6-[(1S,2R)-2-[3-(2-hydroxyethyl)phenyl]cyclopropyl]-3-methylpyrimidin-4-one has a molecular weight of 285.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(1S,2R)-2-[3-(2-hydroxyethyl)phenyl]cyclopropyl]-3-methylpyrimidin-4-one is sourced from PubChem (CID 72944437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).