tert-butyl N-[2-[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]ethyl]carbamate

C12H20N4O3 — CID 83672007

IUPACtert-butyl N-[2-[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C12H20N4O3/c1-12(2,3)19-11(18)14-5-4-9-15-7-8(6-13)10(17)16-9/h7H,4-6,13H2,1-3H3,(H,14,18)(H,15,16,17)
InChIKeyRYJBOPSNGMQCDQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.30
Rot. Bonds4

About tert-butyl N-[2-[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]ethyl]carbamate

tert-butyl N-[2-[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]ethyl]carbamate (PubChem CID 83672007) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is tert-butyl N-[2-[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]ethyl]carbamate
PubChem CID83672007
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Nametert-butyl N-[2-[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C12H20N4O3/c1-12(2,3)19-11(18)14-5-4-9-15-7-8(6-13)10(17)16-9/h7H,4-6,13H2,1-3H3,(H,14,18)(H,15,16,17)
InChIKeyRYJBOPSNGMQCDQ-UHFFFAOYSA-N
XLogP0.30
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
tert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate
CID 22308429
N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide
CID 76852062
tert-butyl N-[2-(5-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]carbamate
CID 83669623
tert-Butyl [(5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl)methyl]carbamate
CID 83671997
tert-butyl N-[[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate
CID 83672010
5-(aminomethyl)-2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one
CID 104189920
5-(aminomethyl)-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one
CID 104189968
tert-butyl N-[[5-(aminomethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate
CID 136320703
tert-butyl N-[[2-(aminomethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]methyl]carbamate
CID 136320704
tert-butyl N-[3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propyl]carbamate
CID 136900907
tert-butyl N-[3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propyl]carbamate
CID 136977503

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]ethyl]carbamate (CID 83672007) is tert-butyl N-[2-[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ncc(CN)c(=O)[nH]1.
What is the InChIKey of tert-butyl N-[2-[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]ethyl]carbamate?
The InChIKey is RYJBOPSNGMQCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-12(2,3)19-11(18)14-5-4-9-15-7-8(6-13)10(17)16-9/h7H,4-6,13H2,1-3H3,(H,14,18)(H,15,16,17).
What are the key properties of tert-butyl N-[2-[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]ethyl]carbamate?
tert-butyl N-[2-[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]ethyl]carbamate has a molecular weight of 268.32 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]ethyl]carbamate is sourced from PubChem (CID 83672007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).