tert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate

C16H28N4O3 — CID 136902431

IUPACtert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate
SMILESCc1nc(C)c(C(C)NCC(C)NC(=O)OC(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C16H28N4O3/c1-9(18-15(22)23-16(5,6)7)8-17-10(2)13-11(3)19-12(4)20-14(13)21/h9-10,17H,8H2,1-7H3,(H,18,22)(H,19,20,21)
InChIKeyPCHSLNRZIJXKIY-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.95
Rot. Bonds5

About tert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate

tert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate (PubChem CID 136902431) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate
PubChem CID136902431
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Nametert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate
SMILESCc1nc(C)c(C(C)NCC(C)NC(=O)OC(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C16H28N4O3/c1-9(18-15(22)23-16(5,6)7)8-17-10(2)13-11(3)19-12(4)20-14(13)21/h9-10,17H,8H2,1-7H3,(H,18,22)(H,19,20,21)
InChIKeyPCHSLNRZIJXKIY-UHFFFAOYSA-N
XLogP1.95
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethylpropanamide
CID 136811947
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
tert-butyl N-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]propan-2-yl]carbamate
CID 130574165
tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
CID 103917430
tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate
CID 107247716
tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
CID 107247678
tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate
CID 107247781
tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate
CID 107247394
tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate
CID 103901675
2-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethyl-N-methylpropanamide
CID 136713555
tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
CID 71301755
tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-2-hydroxyethyl]carbamate
CID 102970126

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate (CID 136902431) is tert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate is Cc1nc(C)c(C(C)NCC(C)NC(=O)OC(C)(C)C)c(=O)[nH]1.
What is the InChIKey of tert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate?
The InChIKey is PCHSLNRZIJXKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-9(18-15(22)23-16(5,6)7)8-17-10(2)13-11(3)19-12(4)20-14(13)21/h9-10,17H,8H2,1-7H3,(H,18,22)(H,19,20,21).
What are the key properties of tert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate?
tert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate has a molecular weight of 324.43 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate is sourced from PubChem (CID 136902431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).