cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C19H29N5O2 — CID 70703659

IUPACcyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H29N5O2/c25-18(16-4-2-1-3-5-16)23-10-8-22(9-11-23)17-6-7-20-19(21-17)24-12-14-26-15-13-24/h6-7,16H,1-5,8-15H2
InChIKeyVOUFYTIZTLZMCF-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.54
Rot. Bonds3

About cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone

cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 70703659) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID70703659
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Namecyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H29N5O2/c25-18(16-4-2-1-3-5-16)23-10-8-22(9-11-23)17-6-7-20-19(21-17)24-12-14-26-15-13-24/h6-7,16H,1-5,8-15H2
InChIKeyVOUFYTIZTLZMCF-UHFFFAOYSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
[(2S)-oxolan-2-yl]-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 95875384
4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 122344638
azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone
CID 92612882
2-cyclopentyl-1-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122343767
1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829686
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile
CID 122344468
(3,4-difluorophenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344401
2-(2-chloro-6-fluorophenyl)-1-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122344562
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921957

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 70703659) is cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone is O=C(C1CCCCC1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is VOUFYTIZTLZMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c25-18(16-4-2-1-3-5-16)23-10-8-22(9-11-23)17-6-7-20-19(21-17)24-12-14-26-15-13-24/h6-7,16H,1-5,8-15H2.
What are the key properties of cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 359.47 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 70703659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).