methyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate

C14H23N5O2 — CID 19135716

IUPACmethyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncnc(NC(C)C)c2N)CC1
InChIInChI=1S/C14H23N5O2/c1-9(2)18-12-11(15)13(17-8-16-12)19-6-4-10(5-7-19)14(20)21-3/h8-10H,4-7,15H2,1-3H3,(H,16,17,18)
InChIKeyJZHSTYIHVKIUEG-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.27
Rot. Bonds4

About methyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate

methyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate (PubChem CID 19135716) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate
PubChem CID19135716
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Namemethyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncnc(NC(C)C)c2N)CC1
InChIInChI=1S/C14H23N5O2/c1-9(2)18-12-11(15)13(17-8-16-12)19-6-4-10(5-7-19)14(20)21-3/h8-10H,4-7,15H2,1-3H3,(H,16,17,18)
InChIKeyJZHSTYIHVKIUEG-UHFFFAOYSA-N
XLogP1.27
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19154022
methyl 1-[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 23487634
methyl 1-[5-amino-6-(4-fluoroanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19149063
methyl 1-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19148959
methyl 1-[5-amino-6-(2,2-diphenylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19146669
methyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate
CID 19149368
methyl 1-[5-amino-6-(hexadecylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142484
methyl 1-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 22543107
methyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate
CID 19154024
methyl 1-[5-amino-6-[2-(4-methylbenzoyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19150761
methyl 1-[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19152070
methyl 1-[5-amino-6-(3-chloroanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19148424

Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate (CID 19135716) is methyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate is COC(=O)C1CCN(c2ncnc(NC(C)C)c2N)CC1.
What is the InChIKey of methyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate?
The InChIKey is JZHSTYIHVKIUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-9(2)18-12-11(15)13(17-8-16-12)19-6-4-10(5-7-19)14(20)21-3/h8-10H,4-7,15H2,1-3H3,(H,16,17,18).
What are the key properties of methyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate?
methyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 19135716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).