tert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate

C23H33N5O2 — CID 56563715

IUPACtert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate
SMILESCc1nc(-c2ccccn2)nc(N2CCCC(CN(C)C(=O)OC(C)(C)C)C2)c1C
InChIInChI=1S/C23H33N5O2/c1-16-17(2)25-20(19-11-7-8-12-24-19)26-21(16)28-13-9-10-18(15-28)14-27(6)22(29)30-23(3,4)5/h7-8,11-12,18H,9-10,13-15H2,1-6H3
InChIKeyWIUNJQUVVYNTAQ-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.24
Rot. Bonds4

About tert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate

tert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate (PubChem CID 56563715) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is tert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate
PubChem CID56563715
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Nametert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate
SMILESCc1nc(-c2ccccn2)nc(N2CCCC(CN(C)C(=O)OC(C)(C)C)C2)c1C
InChIInChI=1S/C23H33N5O2/c1-16-17(2)25-20(19-11-7-8-12-24-19)26-21(16)28-13-9-10-18(15-28)14-27(6)22(29)30-23(3,4)5/h7-8,11-12,18H,9-10,13-15H2,1-6H3
InChIKeyWIUNJQUVVYNTAQ-UHFFFAOYSA-N
XLogP4.24
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate with MolForge

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Related Compounds

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tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate
CID 94806593
tert-butyl N-[[1-(2-benzoylbenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate
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tert-butyl N-[[1-(3-chloro-4-cyanophenyl)piperidin-3-yl]methyl]-N-methylcarbamate
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tert-butyl N-[[(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
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tert-butyl N-methyl-N-[[(3S)-1-[4-(phenoxymethyl)benzoyl]piperidin-3-yl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate (CID 56563715) is tert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate is Cc1nc(-c2ccccn2)nc(N2CCCC(CN(C)C(=O)OC(C)(C)C)C2)c1C.
What is the InChIKey of tert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate?
The InChIKey is WIUNJQUVVYNTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-16-17(2)25-20(19-11-7-8-12-24-19)26-21(16)28-13-9-10-18(15-28)14-27(6)22(29)30-23(3,4)5/h7-8,11-12,18H,9-10,13-15H2,1-6H3.
What are the key properties of tert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate has a molecular weight of 411.55 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 56563715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).