tert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate

C19H29N7O2 — CID 134512333

IUPACtert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nc(N)ncc2-c2cnn(C)c2)C1
InChIInChI=1S/C19H29N7O2/c1-19(2,3)28-18(27)25(5)14-7-6-8-26(12-14)16-15(10-21-17(20)23-16)13-9-22-24(4)11-13/h9-11,14H,6-8,12H2,1-5H3,(H2,20,21,23)/t14-/m1/s1
InChIKeyXYDRCRRRCOTXRN-CQSZACIVSA-N
MW387.49 g/mol
LogP2.30
Rot. Bonds3

About tert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate

tert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate (PubChem CID 134512333) has the molecular formula C19H29N7O2 and a molecular weight of 387.49 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate
PubChem CID134512333
Molecular FormulaC19H29N7O2
Molecular Weight387.49 g/mol
Exact Mass387.24
IUPAC Nametert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nc(N)ncc2-c2cnn(C)c2)C1
InChIInChI=1S/C19H29N7O2/c1-19(2,3)28-18(27)25(5)14-7-6-8-26(12-14)16-15(10-21-17(20)23-16)13-9-22-24(4)11-13/h9-11,14H,6-8,12H2,1-5H3,(H2,20,21,23)/t14-/m1/s1
InChIKeyXYDRCRRRCOTXRN-CQSZACIVSA-N
XLogP2.30
TPSA102.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate with MolForge

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Related Compounds

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tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate
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tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
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tert-butyl N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]carbamate
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tert-butyl N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylcarbamate
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tert-butyl N-[(3R)-1-[3-amino-7-(2-fluoro-6-methylphenyl)isoquinolin-5-yl]piperidin-3-yl]-N-methylcarbamate
CID 167352248
tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate (CID 134512333) is tert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nc(N)ncc2-c2cnn(C)c2)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate?
The InChIKey is XYDRCRRRCOTXRN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29N7O2/c1-19(2,3)28-18(27)25(5)14-7-6-8-26(12-14)16-15(10-21-17(20)23-16)13-9-22-24(4)11-13/h9-11,14H,6-8,12H2,1-5H3,(H2,20,21,23)/t14-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate?
tert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate has a molecular weight of 387.49 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 134512333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).