4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

C15H22N4O3 — CID 122060204

IUPAC4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C15H22N4O3/c20-15(21)11-1-3-12(4-2-11)18-13-9-14(17-10-16-13)19-5-7-22-8-6-19/h9-12H,1-8H2,(H,20,21)(H,16,17,18)
InChIKeyMLKXNHYCLWRWQI-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.37
Rot. Bonds4

About 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122060204) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID122060204
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C15H22N4O3/c20-15(21)11-1-3-12(4-2-11)18-13-9-14(17-10-16-13)19-5-7-22-8-6-19/h9-12H,1-8H2,(H,20,21)(H,16,17,18)
InChIKeyMLKXNHYCLWRWQI-UHFFFAOYSA-N
XLogP1.37
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060202
methyl 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 91827802
1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192684
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53188800
1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 136547756
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112855829
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
CID 113192860
5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122048024
cis-ethyl (1R,3S)-3-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate
CID 154755479
N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112854724
N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188633

Frequently Asked Questions

What is the IUPAC name of 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (CID 122060204) is 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2cc(N3CCOCC3)ncn2)CC1.
What is the InChIKey of 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is MLKXNHYCLWRWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-15(21)11-1-3-12(4-2-11)18-13-9-14(17-10-16-13)19-5-7-22-8-6-19/h9-12H,1-8H2,(H,20,21)(H,16,17,18).
What are the key properties of 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122060204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).