4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one

C17H20N2O2 — CID 136770297

IUPAC4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1c(-c2cccc(OC3CC3)c2)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C17H20N2O2/c1-10(2)16-18-15(11(3)17(20)19-16)12-5-4-6-14(9-12)21-13-7-8-13/h4-6,9-10,13H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyDOMMEDJUMFVRMQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.41
Rot. Bonds4

About 4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one

4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136770297) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136770297
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1c(-c2cccc(OC3CC3)c2)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C17H20N2O2/c1-10(2)16-18-15(11(3)17(20)19-16)12-5-4-6-14(9-12)21-13-7-8-13/h4-6,9-10,13H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyDOMMEDJUMFVRMQ-UHFFFAOYSA-N
XLogP3.41
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (CID 136770297) is 4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one is Cc1c(-c2cccc(OC3CC3)c2)nc(C(C)C)[nH]c1=O.
What is the InChIKey of 4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is DOMMEDJUMFVRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10(2)16-18-15(11(3)17(20)19-16)12-5-4-6-14(9-12)21-13-7-8-13/h4-6,9-10,13H,7-8H2,1-3H3,(H,18,19,20).
What are the key properties of 4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 284.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).