4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine

C17H21ClN2O — CID 63405768

IUPAC4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine
SMILESCc1nc(-c2cccc(OC(C)C)c2)nc(Cl)c1C(C)C
InChIInChI=1S/C17H21ClN2O/c1-10(2)15-12(5)19-17(20-16(15)18)13-7-6-8-14(9-13)21-11(3)4/h6-11H,1-5H3
InChIKeyFDKBEDHRJVIZAE-UHFFFAOYSA-N
MW304.82 g/mol
LogP5.02
Rot. Bonds4

About 4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine

4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine (PubChem CID 63405768) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine
PubChem CID63405768
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine
SMILESCc1nc(-c2cccc(OC(C)C)c2)nc(Cl)c1C(C)C
InChIInChI=1S/C17H21ClN2O/c1-10(2)15-12(5)19-17(20-16(15)18)13-7-6-8-14(9-13)21-11(3)4/h6-11H,1-5H3
InChIKeyFDKBEDHRJVIZAE-UHFFFAOYSA-N
XLogP5.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66313598
4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66311636
4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 63405676
4-chloro-2-(3-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroquinazoline
CID 61382194
5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66314230
4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
CID 83240232
4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine
CID 115527508
5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66296589
4-chloro-6-methyl-5-propan-2-yl-2-thiophen-2-ylpyrimidine
CID 62913706
2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine
CID 56719109
[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 43839720
4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine
CID 80970542

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine (CID 63405768) is 4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine is Cc1nc(-c2cccc(OC(C)C)c2)nc(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine?
The InChIKey is FDKBEDHRJVIZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-10(2)15-12(5)19-17(20-16(15)18)13-7-6-8-14(9-13)21-11(3)4/h6-11H,1-5H3.
What are the key properties of 4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine?
4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine has a molecular weight of 304.82 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine is sourced from PubChem (CID 63405768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).