methyl 1-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate

C18H23N5O2 — CID 19144549

IUPACmethyl 1-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncnc(N(C)c3ccccc3)c2N)CC1
InChIInChI=1S/C18H23N5O2/c1-22(14-6-4-3-5-7-14)16-15(19)17(21-12-20-16)23-10-8-13(9-11-23)18(24)25-2/h3-7,12-13H,8-11,19H2,1-2H3
InChIKeyZGNURLKTMMLLIB-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.22
Rot. Bonds4

About methyl 1-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate

methyl 1-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate (PubChem CID 19144549) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is methyl 1-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate
PubChem CID19144549
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Namemethyl 1-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncnc(N(C)c3ccccc3)c2N)CC1
InChIInChI=1S/C18H23N5O2/c1-22(14-6-4-3-5-7-14)16-15(19)17(21-12-20-16)23-10-8-13(9-11-23)18(24)25-2/h3-7,12-13H,8-11,19H2,1-2H3
InChIKeyZGNURLKTMMLLIB-UHFFFAOYSA-N
XLogP2.22
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-[5-amino-6-(2,2-diphenylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19146669
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
methyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate
CID 19154024
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-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate
CID 19149368
1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19148218
methyl 1-[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19152070
methyl 1-[5-amino-6-(2,4-dichloroanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19149857
methyl 1-[5-amino-6-(3-chloroanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19148424
methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate
CID 141092846

Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate (CID 19144549) is methyl 1-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate is COC(=O)C1CCN(c2ncnc(N(C)c3ccccc3)c2N)CC1.
What is the InChIKey of methyl 1-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate?
The InChIKey is ZGNURLKTMMLLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22(14-6-4-3-5-7-14)16-15(19)17(21-12-20-16)23-10-8-13(9-11-23)18(24)25-2/h3-7,12-13H,8-11,19H2,1-2H3.
What are the key properties of methyl 1-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate?
methyl 1-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate has a molecular weight of 341.42 g/mol, XLogP of 2.22, 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-(N-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 19144549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).