4-chloro-2-(phenylmethoxymethyl)pyrimidine

C12H11ClN2O — CID 105495442

IUPAC4-chloro-2-(phenylmethoxymethyl)pyrimidine
SMILESClc1ccnc(COCc2ccccc2)n1
InChIInChI=1S/C12H11ClN2O/c13-11-6-7-14-12(15-11)9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeySCIDGQPIZLKDKW-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.85
Rot. Bonds4

About 4-chloro-2-(phenylmethoxymethyl)pyrimidine

4-chloro-2-(phenylmethoxymethyl)pyrimidine (PubChem CID 105495442) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-chloro-2-(phenylmethoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(phenylmethoxymethyl)pyrimidine
PubChem CID105495442
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-chloro-2-(phenylmethoxymethyl)pyrimidine
SMILESClc1ccnc(COCc2ccccc2)n1
InChIInChI=1S/C12H11ClN2O/c13-11-6-7-14-12(15-11)9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeySCIDGQPIZLKDKW-UHFFFAOYSA-N
XLogP2.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2-phenylmethoxyethyl)pyrimidine
CID 130968906
[2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine
CID 131115318
4-chloro-2-(methoxymethyl)pyrimidine
CID 14306130
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
CID 66734377
CID 66734377
ethane;phenylmethoxymethylbenzene
CID 90943549
2-chloro-7-phenylmethoxy-1,8-naphthyridine
CID 21073265
2-chloro-4-(2-phenylethoxymethyl)pyridine
CID 114999592
dimethyltin;phenylmethoxymethylbenzene
CID 87392963
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine
CID 43146916

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(phenylmethoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(phenylmethoxymethyl)pyrimidine (CID 105495442) is 4-chloro-2-(phenylmethoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(phenylmethoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(phenylmethoxymethyl)pyrimidine is Clc1ccnc(COCc2ccccc2)n1.
What is the InChIKey of 4-chloro-2-(phenylmethoxymethyl)pyrimidine?
The InChIKey is SCIDGQPIZLKDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-11-6-7-14-12(15-11)9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 4-chloro-2-(phenylmethoxymethyl)pyrimidine?
4-chloro-2-(phenylmethoxymethyl)pyrimidine has a molecular weight of 234.69 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(phenylmethoxymethyl)pyrimidine is sourced from PubChem (CID 105495442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).