4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine

C13H20ClN3O — CID 146521751

IUPAC4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine
SMILESCC(C)C(C)c1nc(N2CCOCC2)ncc1Cl
InChIInChI=1S/C13H20ClN3O/c1-9(2)10(3)12-11(14)8-15-13(16-12)17-4-6-18-7-5-17/h8-10H,4-7H2,1-3H3
InChIKeyKUFMWSDNBWMTPF-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.73
Rot. Bonds3

About 4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine

4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine (PubChem CID 146521751) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine
PubChem CID146521751
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine
SMILESCC(C)C(C)c1nc(N2CCOCC2)ncc1Cl
InChIInChI=1S/C13H20ClN3O/c1-9(2)10(3)12-11(14)8-15-13(16-12)17-4-6-18-7-5-17/h8-10H,4-7H2,1-3H3
InChIKeyKUFMWSDNBWMTPF-UHFFFAOYSA-N
XLogP2.73
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-2-morpholin-4-ylpyrimidin-5-yl)-trimethylsilane
CID 132918077
4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine
CID 83184651
2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine
CID 11508758
4-(5-chloropyrimidin-2-yl)-1,4-oxazepane
CID 134160397
(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid
CID 130120199
5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 51958351
4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol
CID 174507871
8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde
CID 170708206
4-N,4-N-dimethyl-2-morpholin-4-ylpyrimidine-4,5-diamine
CID 121204937
4-N-methyl-2-morpholin-4-ylpyrimidine-4,5-diamine
CID 56647244
2-methyl-3-(2-morpholin-4-ylpyrimidin-5-yl)propan-1-amine
CID 83897296
4-(6-methylquinazolin-2-yl)morpholine
CID 146428087

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine (CID 146521751) is 4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine is CC(C)C(C)c1nc(N2CCOCC2)ncc1Cl.
What is the InChIKey of 4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine?
The InChIKey is KUFMWSDNBWMTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9(2)10(3)12-11(14)8-15-13(16-12)17-4-6-18-7-5-17/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine?
4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine has a molecular weight of 269.78 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 146521751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).