tert-butyl N-[2-[[5-(methoxymethyl)-4-methylpyrimidin-2-yl]-methylamino]ethyl]carbamate

C15H26N4O3 — CID 103279355

IUPACtert-butyl N-[2-[[5-(methoxymethyl)-4-methylpyrimidin-2-yl]-methylamino]ethyl]carbamate
SMILESCOCc1cnc(N(C)CCNC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C15H26N4O3/c1-11-12(10-21-6)9-17-13(18-11)19(5)8-7-16-14(20)22-15(2,3)4/h9H,7-8,10H2,1-6H3,(H,16,20)
InChIKeyZXZMPTPCHCHUJV-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.89
Rot. Bonds6

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

tert-butyl N-[2-[[5-(methoxymethyl)-4-methylpyrimidin-2-yl]-methylamino]ethyl]carbamate (PubChem CID 103279355) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl N-[2-[[5-(methoxymethyl)-4-methylpyrimidin-2-yl]-methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[5-(methoxymethyl)-4-methylpyrimidin-2-yl]-methylamino]ethyl]carbamate
PubChem CID103279355
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Nametert-butyl N-[2-[[5-(methoxymethyl)-4-methylpyrimidin-2-yl]-methylamino]ethyl]carbamate
SMILESCOCc1cnc(N(C)CCNC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C15H26N4O3/c1-11-12(10-21-6)9-17-13(18-11)19(5)8-7-16-14(20)22-15(2,3)4/h9H,7-8,10H2,1-6H3,(H,16,20)
InChIKeyZXZMPTPCHCHUJV-UHFFFAOYSA-N
XLogP1.89
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-[(4,5-dimethylpyrimidin-2-yl)-methylamino]ethyl]carbamate
CID 103279331
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-[[3-(methoxymethyl)-5-methyl-2-pyridinyl]methyl]carbamate
CID 144897825
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
CID 123324286
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate
CID 121426940
N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 83179650
tert-butyl N-[2-[dimethylaminomethylidenecarbamoyl(sulfanyl)amino]ethyl]carbamate
CID 91561171
4-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyrimidine-5-carboxylic acid
CID 114518096
tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate
CID 145199582
tert-butyl N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]propyl]carbamate;ethene
CID 169170123

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[5-(methoxymethyl)-4-methylpyrimidin-2-yl]-methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[5-(methoxymethyl)-4-methylpyrimidin-2-yl]-methylamino]ethyl]carbamate (CID 103279355) is tert-butyl N-[2-[[5-(methoxymethyl)-4-methylpyrimidin-2-yl]-methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[5-(methoxymethyl)-4-methylpyrimidin-2-yl]-methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[5-(methoxymethyl)-4-methylpyrimidin-2-yl]-methylamino]ethyl]carbamate is COCc1cnc(N(C)CCNC(=O)OC(C)(C)C)nc1C.
What is the InChIKey of tert-butyl N-[2-[[5-(methoxymethyl)-4-methylpyrimidin-2-yl]-methylamino]ethyl]carbamate?
The InChIKey is ZXZMPTPCHCHUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-11-12(10-21-6)9-17-13(18-11)19(5)8-7-16-14(20)22-15(2,3)4/h9H,7-8,10H2,1-6H3,(H,16,20).
What are the key properties of tert-butyl N-[2-[[5-(methoxymethyl)-4-methylpyrimidin-2-yl]-methylamino]ethyl]carbamate?
tert-butyl N-[2-[[5-(methoxymethyl)-4-methylpyrimidin-2-yl]-methylamino]ethyl]carbamate has a molecular weight of 310.40 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[5-(methoxymethyl)-4-methylpyrimidin-2-yl]-methylamino]ethyl]carbamate is sourced from PubChem (CID 103279355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).