tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate

C12H20N4O2 — CID 115527043

IUPACtert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate
SMILESCc1nccc(C(CN)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-8-14-6-5-9(15-8)10(7-13)16-11(17)18-12(2,3)4/h5-6,10H,7,13H2,1-4H3,(H,16,17)
InChIKeyCFLRAMNOBAIUQX-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.31
Rot. Bonds3

About tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate

tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate (PubChem CID 115527043) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate
PubChem CID115527043
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Nametert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate
SMILESCc1nccc(C(CN)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-8-14-6-5-9(15-8)10(7-13)16-11(17)18-12(2,3)4/h5-6,10H,7,13H2,1-4H3,(H,16,17)
InChIKeyCFLRAMNOBAIUQX-UHFFFAOYSA-N
XLogP1.31
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
CID 107247937
tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate
CID 130598570
tert-butyl N-[2-amino-1-(2-methylpyrazol-3-yl)ethyl]carbamate
CID 114553832
tert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate
CID 101394448
tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate
CID 114556265
tert-butyl N-[2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentyl]carbamate
CID 104844678
tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
CID 143029344
tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate
CID 10728628
tert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate
CID 59419420
tert-butyl N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]carbamate
CID 59278290
tert-butyl N-[3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]carbamate
CID 107240029
tert-butyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
CID 97184367

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate (CID 115527043) is tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate is Cc1nccc(C(CN)NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate?
The InChIKey is CFLRAMNOBAIUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-14-6-5-9(15-8)10(7-13)16-11(17)18-12(2,3)4/h5-6,10H,7,13H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate?
tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate has a molecular weight of 252.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate is sourced from PubChem (CID 115527043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).