N-[[4-(6-cyclohexylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide

C17H26N4O2 — CID 166271094

IUPACN-[[4-(6-cyclohexylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cc(C3CCCCC3)ncn2)CCO1
InChIInChI=1S/C17H26N4O2/c1-13(22)18-10-15-11-21(7-8-23-15)17-9-16(19-12-20-17)14-5-3-2-4-6-14/h9,12,14-15H,2-8,10-11H2,1H3,(H,18,22)
InChIKeyRXKBCOLXQQCMQK-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.87
Rot. Bonds4

About N-[[4-(6-cyclohexylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide

N-[[4-(6-cyclohexylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide (PubChem CID 166271094) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[[4-(6-cyclohexylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(6-cyclohexylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide
PubChem CID166271094
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[[4-(6-cyclohexylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cc(C3CCCCC3)ncn2)CCO1
InChIInChI=1S/C17H26N4O2/c1-13(22)18-10-15-11-21(7-8-23-15)17-9-16(19-12-20-17)14-5-3-2-4-6-14/h9,12,14-15H,2-8,10-11H2,1H3,(H,18,22)
InChIKeyRXKBCOLXQQCMQK-UHFFFAOYSA-N
XLogP1.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 97146633
N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 70790066
N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 155974233
4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 167796179
2-[methyl-[[(2R)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholin-2-yl]methyl]amino]acetamide
CID 125141326
2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 56898389
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 141272664
2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 70787883
N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide
CID 165434399
3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 95872739

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-cyclohexylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide?
The IUPAC name of N-[[4-(6-cyclohexylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide (CID 166271094) is N-[[4-(6-cyclohexylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-(6-cyclohexylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[4-(6-cyclohexylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide is CC(=O)NCC1CN(c2cc(C3CCCCC3)ncn2)CCO1.
What is the InChIKey of N-[[4-(6-cyclohexylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide?
The InChIKey is RXKBCOLXQQCMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13(22)18-10-15-11-21(7-8-23-15)17-9-16(19-12-20-17)14-5-3-2-4-6-14/h9,12,14-15H,2-8,10-11H2,1H3,(H,18,22).
What are the key properties of N-[[4-(6-cyclohexylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide?
N-[[4-(6-cyclohexylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-cyclohexylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 166271094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).