tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate

C14H23N5O3 — CID 137310018

IUPACtert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(c2cc(=O)[nH]c(N)n2)C1
InChIInChI=1S/C14H23N5O3/c1-14(2,3)22-13(21)16-9-5-4-6-19(8-9)10-7-11(20)18-12(15)17-10/h7,9H,4-6,8H2,1-3H3,(H,16,21)(H3,15,17,18,20)
InChIKeyONTHTHYMQXMLHB-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.85
Rot. Bonds2

About tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate

tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate (PubChem CID 137310018) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate
PubChem CID137310018
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Nametert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(c2cc(=O)[nH]c(N)n2)C1
InChIInChI=1S/C14H23N5O3/c1-14(2,3)22-13(21)16-9-5-4-6-19(8-9)10-7-11(20)18-12(15)17-10/h7,9H,4-6,8H2,1-3H3,(H,16,21)(H3,15,17,18,20)
InChIKeyONTHTHYMQXMLHB-UHFFFAOYSA-N
XLogP0.85
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-(4-amino-2-pyridinyl)piperidin-3-yl]carbamate
CID 91811841
tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 126849999
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 95735597
tert-butyl N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 133482310
tert-butyl N-[1-[6-(difluoromethyl)pyrimidin-4-yl]piperidin-3-yl]carbamate
CID 126850026
tert-butyl N-[(3R)-1-[5-(dimethoxymethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate
CID 58853857
tert-butyl N-[(3S)-1-(6-bromo-2-pyridinyl)piperidin-3-yl]carbamate
CID 86318359
tert-butyl N-[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408080
tert-butyl N-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]carbamate
CID 86331531
tert-butyl N-[(3R)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408081
tert-butyl N-[(3S)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 86329125
tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate
CID 70975709

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate (CID 137310018) is tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCN(c2cc(=O)[nH]c(N)n2)C1.
What is the InChIKey of tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate?
The InChIKey is ONTHTHYMQXMLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-14(2,3)22-13(21)16-9-5-4-6-19(8-9)10-7-11(20)18-12(15)17-10/h7,9H,4-6,8H2,1-3H3,(H,16,21)(H3,15,17,18,20).
What are the key properties of tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate?
tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate has a molecular weight of 309.37 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 137310018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).