methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate

C14H21N3O2 — CID 112689982

IUPACmethyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Nc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C14H21N3O2/c1-9-8-10(2)16-14(15-9)17-12-6-4-11(5-7-12)13(18)19-3/h8,11-12H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyYHQLCYCHEIZCAU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.24
Rot. Bonds3

About methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate

methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate (PubChem CID 112689982) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate
PubChem CID112689982
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Nc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C14H21N3O2/c1-9-8-10(2)16-14(15-9)17-12-6-4-11(5-7-12)13(18)19-3/h8,11-12H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyYHQLCYCHEIZCAU-UHFFFAOYSA-N
XLogP2.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 47156722
4-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1,4-diamine
CID 62319423
N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 43615421
methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 13394768
methyl 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylate
CID 115616833
1-[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194079
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
N-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine
CID 64741526
2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546159
N-cyclopropyl-4-ethoxy-6-methylpyrimidin-2-amine
CID 94830490
methyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate
CID 115777411
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109319676

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate (CID 112689982) is methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(Nc2nc(C)cc(C)n2)CC1.
What is the InChIKey of methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate?
The InChIKey is YHQLCYCHEIZCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-8-10(2)16-14(15-9)17-12-6-4-11(5-7-12)13(18)19-3/h8,11-12H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate?
methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 112689982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).