4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine

C19H19N3O — CID 14458745

IUPAC4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine
SMILESCc1ccnc(-c2cccc(Oc3ccc(C(C)C)cc3)n2)n1
InChIInChI=1S/C19H19N3O/c1-13(2)15-7-9-16(10-8-15)23-18-6-4-5-17(22-18)19-20-12-11-14(3)21-19/h4-13H,1-3H3
InChIKeyXQRKUJRHGQCVBZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.76
Rot. Bonds4

About 4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine

4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine (PubChem CID 14458745) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine
PubChem CID14458745
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine
SMILESCc1ccnc(-c2cccc(Oc3ccc(C(C)C)cc3)n2)n1
InChIInChI=1S/C19H19N3O/c1-13(2)15-7-9-16(10-8-15)23-18-6-4-5-17(22-18)19-20-12-11-14(3)21-19/h4-13H,1-3H3
InChIKeyXQRKUJRHGQCVBZ-UHFFFAOYSA-N
XLogP4.76
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine
CID 14458730
4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine
CID 14458737
2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine
CID 14458749
2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine
CID 14458740
[6-(4-propan-2-ylphenoxy)-2-pyridinyl]methanamine
CID 62295869
6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 62253003
4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine
CID 139724258
2-[6-[2-chloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]-4-methylpyrimidine
CID 139724262
2-(4-chlorophenoxy)-6-methylpyridine;ethane
CID 168898019
2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine
CID 10684254
2-[6-(2-chlorophenoxy)-5-methyl-2-pyridinyl]-4-methylpyrimidine
CID 14458723
4-methyl-2-(6-propyl-2-pyridinyl)pyrimidine
CID 14253099

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine?
The IUPAC name of 4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine (CID 14458745) is 4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine?
The canonical SMILES for 4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine is Cc1ccnc(-c2cccc(Oc3ccc(C(C)C)cc3)n2)n1.
What is the InChIKey of 4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine?
The InChIKey is XQRKUJRHGQCVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13(2)15-7-9-16(10-8-15)23-18-6-4-5-17(22-18)19-20-12-11-14(3)21-19/h4-13H,1-3H3.
What are the key properties of 4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine?
4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine has a molecular weight of 305.38 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine is sourced from PubChem (CID 14458745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).