tert-butyl N-[2-[(4,5-dimethylpyrimidin-2-yl)-methylamino]ethyl]carbamate

C14H24N4O2 — CID 103279331

IUPACtert-butyl N-[2-[(4,5-dimethylpyrimidin-2-yl)-methylamino]ethyl]carbamate
SMILESCc1cnc(N(C)CCNC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C14H24N4O2/c1-10-9-16-12(17-11(10)2)18(6)8-7-15-13(19)20-14(3,4)5/h9H,7-8H2,1-6H3,(H,15,19)
InChIKeyCWYWYCBDNBRCAT-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.05
Rot. Bonds4

About tert-butyl N-[2-[(4,5-dimethylpyrimidin-2-yl)-methylamino]ethyl]carbamate

tert-butyl N-[2-[(4,5-dimethylpyrimidin-2-yl)-methylamino]ethyl]carbamate (PubChem CID 103279331) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[2-[(4,5-dimethylpyrimidin-2-yl)-methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4,5-dimethylpyrimidin-2-yl)-methylamino]ethyl]carbamate
PubChem CID103279331
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl N-[2-[(4,5-dimethylpyrimidin-2-yl)-methylamino]ethyl]carbamate
SMILESCc1cnc(N(C)CCNC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C14H24N4O2/c1-10-9-16-12(17-11(10)2)18(6)8-7-15-13(19)20-14(3,4)5/h9H,7-8H2,1-6H3,(H,15,19)
InChIKeyCWYWYCBDNBRCAT-UHFFFAOYSA-N
XLogP2.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[[5-(methoxymethyl)-4-methylpyrimidin-2-yl]-methylamino]ethyl]carbamate
CID 103279355
tert-butyl N-[3-[(5-fluoropyrimidin-2-yl)-methylamino]propyl]carbamate
CID 75482555
tert-butyl N-[2-[[4-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-methylamino]ethyl]carbamate
CID 114080800
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
CID 123324286
tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate
CID 121426940
tert-butyl N-[2-(2,4-dibromo-5-methyl-3-pyridinyl)ethyl]carbamate
CID 177322011
4-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyrimidine-5-carboxylic acid
CID 114518096
tert-butyl N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]propyl]carbamate;ethene
CID 169170123
tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate
CID 49354339
tert-butyl N-[2-[bis[(6-chloro-3-pyridinyl)methyl]amino]ethyl]carbamate
CID 87330988
tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate
CID 167260960
tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate
CID 139270813

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4,5-dimethylpyrimidin-2-yl)-methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4,5-dimethylpyrimidin-2-yl)-methylamino]ethyl]carbamate (CID 103279331) is tert-butyl N-[2-[(4,5-dimethylpyrimidin-2-yl)-methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4,5-dimethylpyrimidin-2-yl)-methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4,5-dimethylpyrimidin-2-yl)-methylamino]ethyl]carbamate is Cc1cnc(N(C)CCNC(=O)OC(C)(C)C)nc1C.
What is the InChIKey of tert-butyl N-[2-[(4,5-dimethylpyrimidin-2-yl)-methylamino]ethyl]carbamate?
The InChIKey is CWYWYCBDNBRCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-9-16-12(17-11(10)2)18(6)8-7-15-13(19)20-14(3,4)5/h9H,7-8H2,1-6H3,(H,15,19).
What are the key properties of tert-butyl N-[2-[(4,5-dimethylpyrimidin-2-yl)-methylamino]ethyl]carbamate?
tert-butyl N-[2-[(4,5-dimethylpyrimidin-2-yl)-methylamino]ethyl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4,5-dimethylpyrimidin-2-yl)-methylamino]ethyl]carbamate is sourced from PubChem (CID 103279331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).