methyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate

C17H26N4O3 — CID 19154024

IUPACmethyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncnc(OC3CCCCC3)c2N)CC1
InChIInChI=1S/C17H26N4O3/c1-23-17(22)12-7-9-21(10-8-12)15-14(18)16(20-11-19-15)24-13-5-3-2-4-6-13/h11-13H,2-10,18H2,1H3
InChIKeyKCLYADHTFOVPEV-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.16
Rot. Bonds4

About methyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate

methyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 19154024) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID19154024
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Namemethyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncnc(OC3CCCCC3)c2N)CC1
InChIInChI=1S/C17H26N4O3/c1-23-17(22)12-7-9-21(10-8-12)15-14(18)16(20-11-19-15)24-13-5-3-2-4-6-13/h11-13H,2-10,18H2,1H3
InChIKeyKCLYADHTFOVPEV-UHFFFAOYSA-N
XLogP2.16
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137416
1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19154022
methyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19135716
4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine
CID 19138505
methyl 1-[5-amino-6-(hexadecylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142484
methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate
CID 141092846
methyl 1-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19144549
4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19153689
methyl 1-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19148959
methyl 1-[5-amino-6-(4-fluoroanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19149063
methyl 1-[5-amino-6-(2,2-diphenylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19146669
methyl 1-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 22543107

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate (CID 19154024) is methyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2ncnc(OC3CCCCC3)c2N)CC1.
What is the InChIKey of methyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is KCLYADHTFOVPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-23-17(22)12-7-9-21(10-8-12)15-14(18)16(20-11-19-15)24-13-5-3-2-4-6-13/h11-13H,2-10,18H2,1H3.
What are the key properties of methyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate?
methyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 19154024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).