4-(6-chloropyrimidin-4-yl)-2-methylmorpholine

C9H12ClN3O — CID 61277750

IUPAC4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
SMILESCC1CN(c2cc(Cl)ncn2)CCO1
InChIInChI=1S/C9H12ClN3O/c1-7-5-13(2-3-14-7)9-4-8(10)11-6-12-9/h4,6-7H,2-3,5H2,1H3
InChIKeyPTNSBFHMWBFQBP-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.36
Rot. Bonds1

About 4-(6-chloropyrimidin-4-yl)-2-methylmorpholine

4-(6-chloropyrimidin-4-yl)-2-methylmorpholine (PubChem CID 61277750) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 4-(6-chloropyrimidin-4-yl)-2-methylmorpholine.

Molecular Properties

Compound Name4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
PubChem CID61277750
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
SMILESCC1CN(c2cc(Cl)ncn2)CCO1
InChIInChI=1S/C9H12ClN3O/c1-7-5-13(2-3-14-7)9-4-8(10)11-6-12-9/h4,6-7H,2-3,5H2,1H3
InChIKeyPTNSBFHMWBFQBP-UHFFFAOYSA-N
XLogP1.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-(6-chloropyrimidin-4-yl)morpholine-2-carboxylic acid
CID 175148937
N-ethyl-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80764965
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine
CID 80949359
16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11291813
6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 78929987
4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine
CID 76837839
[5-chloro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]methanamine
CID 114925011
4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine
CID 124832471
(9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 138543962
1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine
CID 87290230
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 64596616
(3aR,6aR)-2-(6-chloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129380883

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyrimidin-4-yl)-2-methylmorpholine?
The IUPAC name of 4-(6-chloropyrimidin-4-yl)-2-methylmorpholine (CID 61277750) is 4-(6-chloropyrimidin-4-yl)-2-methylmorpholine.
What is the SMILES notation for 4-(6-chloropyrimidin-4-yl)-2-methylmorpholine?
The canonical SMILES for 4-(6-chloropyrimidin-4-yl)-2-methylmorpholine is CC1CN(c2cc(Cl)ncn2)CCO1.
What is the InChIKey of 4-(6-chloropyrimidin-4-yl)-2-methylmorpholine?
The InChIKey is PTNSBFHMWBFQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-7-5-13(2-3-14-7)9-4-8(10)11-6-12-9/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 4-(6-chloropyrimidin-4-yl)-2-methylmorpholine?
4-(6-chloropyrimidin-4-yl)-2-methylmorpholine has a molecular weight of 213.67 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyrimidin-4-yl)-2-methylmorpholine is sourced from PubChem (CID 61277750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).