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

C15H17ClN2O — CID 63736409

IUPAC4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine
SMILESCc1cc(Oc2ncnc(Cl)c2C)ccc1C(C)C
InChIInChI=1S/C15H17ClN2O/c1-9(2)13-6-5-12(7-10(13)3)19-15-11(4)14(16)17-8-18-15/h5-9H,1-4H3
InChIKeyCBDCKUGATRVVAK-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.66
Rot. Bonds3

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

4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine (PubChem CID 63736409) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine
PubChem CID63736409
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine
SMILESCc1cc(Oc2ncnc(Cl)c2C)ccc1C(C)C
InChIInChI=1S/C15H17ClN2O/c1-9(2)13-6-5-12(7-10(13)3)19-15-11(4)14(16)17-8-18-15/h5-9H,1-4H3
InChIKeyCBDCKUGATRVVAK-UHFFFAOYSA-N
XLogP4.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine
CID 55230242
4-chloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidine
CID 63736064
3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole
CID 63506599
5-bromo-3-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 103583561
4-(6-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine
CID 63734175
5-chloro-3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 79727500
6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
CID 115474420
4-chloro-6-(3,5-difluorophenoxy)-5-methylpyrimidine
CID 63735740
5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80863693
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-methylpyrimidine;4,6-dichloro-5-methylpyrimidine
CID 157081646
5-amino-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469460
4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide
CID 55229282

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine (CID 63736409) is 4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine is Cc1cc(Oc2ncnc(Cl)c2C)ccc1C(C)C.
What is the InChIKey of 4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine?
The InChIKey is CBDCKUGATRVVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-9(2)13-6-5-12(7-10(13)3)19-15-11(4)14(16)17-8-18-15/h5-9H,1-4H3.
What are the key properties of 4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine?
4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine has a molecular weight of 276.77 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine is sourced from PubChem (CID 63736409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).