6-chloro-3-(cyclopropylmethoxymethyl)-2-propan-2-ylpyrimidin-4-one

C12H17ClN2O2 — CID 106930434

IUPAC6-chloro-3-(cyclopropylmethoxymethyl)-2-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1nc(Cl)cc(=O)n1COCC1CC1
InChIInChI=1S/C12H17ClN2O2/c1-8(2)12-14-10(13)5-11(16)15(12)7-17-6-9-3-4-9/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyVEQJXWWMQHQGGZ-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.40
Rot. Bonds5

About 6-chloro-3-(cyclopropylmethoxymethyl)-2-propan-2-ylpyrimidin-4-one

6-chloro-3-(cyclopropylmethoxymethyl)-2-propan-2-ylpyrimidin-4-one (PubChem CID 106930434) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 6-chloro-3-(cyclopropylmethoxymethyl)-2-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(cyclopropylmethoxymethyl)-2-propan-2-ylpyrimidin-4-one
PubChem CID106930434
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name6-chloro-3-(cyclopropylmethoxymethyl)-2-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1nc(Cl)cc(=O)n1COCC1CC1
InChIInChI=1S/C12H17ClN2O2/c1-8(2)12-14-10(13)5-11(16)15(12)7-17-6-9-3-4-9/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyVEQJXWWMQHQGGZ-UHFFFAOYSA-N
XLogP2.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(cyclopropylmethoxymethyl)-2-propan-2-ylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(cyclopropylmethoxymethyl)-2-propan-2-ylpyrimidin-4-one (CID 106930434) is 6-chloro-3-(cyclopropylmethoxymethyl)-2-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(cyclopropylmethoxymethyl)-2-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(cyclopropylmethoxymethyl)-2-propan-2-ylpyrimidin-4-one is CC(C)c1nc(Cl)cc(=O)n1COCC1CC1.
What is the InChIKey of 6-chloro-3-(cyclopropylmethoxymethyl)-2-propan-2-ylpyrimidin-4-one?
The InChIKey is VEQJXWWMQHQGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8(2)12-14-10(13)5-11(16)15(12)7-17-6-9-3-4-9/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 6-chloro-3-(cyclopropylmethoxymethyl)-2-propan-2-ylpyrimidin-4-one?
6-chloro-3-(cyclopropylmethoxymethyl)-2-propan-2-ylpyrimidin-4-one has a molecular weight of 256.73 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(cyclopropylmethoxymethyl)-2-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 106930434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).