2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine

C18H16ClN3O — CID 90118179

IUPAC2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine
SMILESCC(C)Oc1ccc(-c2cc(Cl)cc(-c3ncccn3)n2)cc1
InChIInChI=1S/C18H16ClN3O/c1-12(2)23-15-6-4-13(5-7-15)16-10-14(19)11-17(22-16)18-20-8-3-9-21-18/h3-12H,1-2H3
InChIKeyINVRQWCZNVAVIA-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.65
Rot. Bonds4

About 2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine

2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine (PubChem CID 90118179) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine
PubChem CID90118179
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine
SMILESCC(C)Oc1ccc(-c2cc(Cl)cc(-c3ncccn3)n2)cc1
InChIInChI=1S/C18H16ClN3O/c1-12(2)23-15-6-4-13(5-7-15)16-10-14(19)11-17(22-16)18-20-8-3-9-21-18/h3-12H,1-2H3
InChIKeyINVRQWCZNVAVIA-UHFFFAOYSA-N
XLogP4.65
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine?
The IUPAC name of 2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine (CID 90118179) is 2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine.
What is the SMILES notation for 2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine?
The canonical SMILES for 2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine is CC(C)Oc1ccc(-c2cc(Cl)cc(-c3ncccn3)n2)cc1.
What is the InChIKey of 2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine?
The InChIKey is INVRQWCZNVAVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-12(2)23-15-6-4-13(5-7-15)16-10-14(19)11-17(22-16)18-20-8-3-9-21-18/h3-12H,1-2H3.
What are the key properties of 2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine?
2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine has a molecular weight of 325.80 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine is sourced from PubChem (CID 90118179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).