4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine

C14H21ClN2O2 — CID 80972734

IUPAC4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1OCC1CCOCC1
InChIInChI=1S/C14H21ClN2O2/c1-9(2)13-16-12(15)10(3)14(17-13)19-8-11-4-6-18-7-5-11/h9,11H,4-8H2,1-3H3
InChIKeyMKULCZMGIKYFRZ-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.37
Rot. Bonds4

About 4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine

4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine (PubChem CID 80972734) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine
PubChem CID80972734
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1OCC1CCOCC1
InChIInChI=1S/C14H21ClN2O2/c1-9(2)13-16-12(15)10(3)14(17-13)19-8-11-4-6-18-7-5-11/h9,11H,4-8H2,1-3H3
InChIKeyMKULCZMGIKYFRZ-UHFFFAOYSA-N
XLogP3.37
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine
CID 80974230
[5-methyl-6-(oxolan-3-ylmethoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001634
4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine
CID 80973930
4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine
CID 80974281
2-tert-butyl-4-chloro-6-(cyclopropylmethoxy)-5-methylpyrimidine
CID 80974383
4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine
CID 103177544
5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075979
2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine
CID 80991354
3,5-dichloro-N-ethyl-6-(oxan-4-ylmethoxy)pyridin-2-amine
CID 102760933
4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine
CID 63734887
[6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80924460
[6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine
CID 62384187

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine (CID 80972734) is 4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine is Cc1c(Cl)nc(C(C)C)nc1OCC1CCOCC1.
What is the InChIKey of 4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine?
The InChIKey is MKULCZMGIKYFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9(2)13-16-12(15)10(3)14(17-13)19-8-11-4-6-18-7-5-11/h9,11H,4-8H2,1-3H3.
What are the key properties of 4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine?
4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine has a molecular weight of 284.79 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80972734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).