2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine

C12H18ClN3O — CID 79077687

IUPAC2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine
SMILESCC(C)c1cc(Cl)nc(C2CN(C)CCO2)n1
InChIInChI=1S/C12H18ClN3O/c1-8(2)9-6-11(13)15-12(14-9)10-7-16(3)4-5-17-10/h6,8,10H,4-5,7H2,1-3H3
InChIKeyGICOJMHNPZMWDU-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.26
Rot. Bonds2

About 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine

2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine (PubChem CID 79077687) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine.

Molecular Properties

Compound Name2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine
PubChem CID79077687
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine
SMILESCC(C)c1cc(Cl)nc(C2CN(C)CCO2)n1
InChIInChI=1S/C12H18ClN3O/c1-8(2)9-6-11(13)15-12(14-9)10-7-16(3)4-5-17-10/h6,8,10H,4-5,7H2,1-3H3
InChIKeyGICOJMHNPZMWDU-UHFFFAOYSA-N
XLogP2.26
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine
CID 79077180
2-(4,6-dichloropyrimidin-2-yl)-4-ethylmorpholine
CID 79666573
6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 79088802
6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-ylpyrimidin-4-amine
CID 79088985
5,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 79088525
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine
CID 65350725
2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 79088437
2-(4-chloro-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylmorpholine
CID 79078490
4-methyl-6-(4-methylmorpholin-2-yl)-1,3,5-triazin-2-amine
CID 79085098
1-[4-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-5-yl]ethanol
CID 79088547
2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine
CID 79076880
4-methyl-2-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)morpholine
CID 114739024

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine?
The IUPAC name of 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine (CID 79077687) is 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine.
What is the SMILES notation for 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine?
The canonical SMILES for 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine is CC(C)c1cc(Cl)nc(C2CN(C)CCO2)n1.
What is the InChIKey of 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine?
The InChIKey is GICOJMHNPZMWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8(2)9-6-11(13)15-12(14-9)10-7-16(3)4-5-17-10/h6,8,10H,4-5,7H2,1-3H3.
What are the key properties of 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine?
2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine has a molecular weight of 255.75 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine is sourced from PubChem (CID 79077687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).