4-chloro-6-(cyclopropylmethoxy)pyrimidine

C8H9ClN2O — CID 61279568

IUPAC4-chloro-6-(cyclopropylmethoxy)pyrimidine
SMILESClc1cc(OCC2CC2)ncn1
InChIInChI=1S/C8H9ClN2O/c9-7-3-8(11-5-10-7)12-4-6-1-2-6/h3,5-6H,1-2,4H2
InChIKeyJNNBMKRJHQQLMC-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.92
Rot. Bonds3

About 4-chloro-6-(cyclopropylmethoxy)pyrimidine

4-chloro-6-(cyclopropylmethoxy)pyrimidine (PubChem CID 61279568) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 4-chloro-6-(cyclopropylmethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(cyclopropylmethoxy)pyrimidine
PubChem CID61279568
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name4-chloro-6-(cyclopropylmethoxy)pyrimidine
SMILESClc1cc(OCC2CC2)ncn1
InChIInChI=1S/C8H9ClN2O/c9-7-3-8(11-5-10-7)12-4-6-1-2-6/h3,5-6H,1-2,4H2
InChIKeyJNNBMKRJHQQLMC-UHFFFAOYSA-N
XLogP1.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(cyclopropylmethoxy)pyrimidine?
The IUPAC name of 4-chloro-6-(cyclopropylmethoxy)pyrimidine (CID 61279568) is 4-chloro-6-(cyclopropylmethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-6-(cyclopropylmethoxy)pyrimidine?
The canonical SMILES for 4-chloro-6-(cyclopropylmethoxy)pyrimidine is Clc1cc(OCC2CC2)ncn1.
What is the InChIKey of 4-chloro-6-(cyclopropylmethoxy)pyrimidine?
The InChIKey is JNNBMKRJHQQLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-7-3-8(11-5-10-7)12-4-6-1-2-6/h3,5-6H,1-2,4H2.
What are the key properties of 4-chloro-6-(cyclopropylmethoxy)pyrimidine?
4-chloro-6-(cyclopropylmethoxy)pyrimidine has a molecular weight of 184.63 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(cyclopropylmethoxy)pyrimidine is sourced from PubChem (CID 61279568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).