4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine

C12H16ClN3O — CID 80949359

IUPAC4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine
SMILESCC1CN(c2cc(Cl)nc(C3CC3)n2)CCO1
InChIInChI=1S/C12H16ClN3O/c1-8-7-16(4-5-17-8)11-6-10(13)14-12(15-11)9-2-3-9/h6,8-9H,2-5,7H2,1H3
InChIKeyNZAUZDMTJYMXFR-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.23
Rot. Bonds2

About 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine

4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine (PubChem CID 80949359) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine.

Molecular Properties

Compound Name4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine
PubChem CID80949359
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine
SMILESCC1CN(c2cc(Cl)nc(C3CC3)n2)CCO1
InChIInChI=1S/C12H16ClN3O/c1-8-7-16(4-5-17-8)11-6-10(13)14-12(15-11)9-2-3-9/h6,8-9H,2-5,7H2,1H3
InChIKeyNZAUZDMTJYMXFR-UHFFFAOYSA-N
XLogP2.23
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 129380887
4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
CID 61277750
4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536578
2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 137008986
4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 121200880
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine
CID 80948108
4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 80950703
3-(6-chloro-2-cyclopropylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80947338
2-methyl-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80764461
4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine
CID 80953514
2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81108646
4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine
CID 124850877

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine?
The IUPAC name of 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine (CID 80949359) is 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine.
What is the SMILES notation for 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine?
The canonical SMILES for 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine is CC1CN(c2cc(Cl)nc(C3CC3)n2)CCO1.
What is the InChIKey of 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine?
The InChIKey is NZAUZDMTJYMXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8-7-16(4-5-17-8)11-6-10(13)14-12(15-11)9-2-3-9/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine?
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine has a molecular weight of 253.73 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine is sourced from PubChem (CID 80949359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).