tert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate

C18H24N6O5 — CID 129250162

IUPACtert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate
SMILESCn1c(N)c(NC(=O)C(Cc2ccccn2)NC(=O)OC(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N6O5/c1-18(2,3)29-17(28)21-11(9-10-7-5-6-8-20-10)14(25)22-12-13(19)24(4)16(27)23-15(12)26/h5-8,11H,9,19H2,1-4H3,(H,21,28)(H,22,25)(H,23,26,27)
InChIKeyGMTOUKLIUABNGL-UHFFFAOYSA-N
MW404.43 g/mol
LogP0.13
Rot. Bonds5

About tert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate

tert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate (PubChem CID 129250162) has the molecular formula C18H24N6O5 and a molecular weight of 404.43 g/mol. Its IUPAC name is tert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate
PubChem CID129250162
Molecular FormulaC18H24N6O5
Molecular Weight404.43 g/mol
Exact Mass404.18
IUPAC Nametert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate
SMILESCn1c(N)c(NC(=O)C(Cc2ccccn2)NC(=O)OC(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N6O5/c1-18(2,3)29-17(28)21-11(9-10-7-5-6-8-20-10)14(25)22-12-13(19)24(4)16(27)23-15(12)26/h5-8,11H,9,19H2,1-4H3,(H,21,28)(H,22,25)(H,23,26,27)
InChIKeyGMTOUKLIUABNGL-UHFFFAOYSA-N
XLogP0.13
TPSA161.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2R)-1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate
CID 129269674
tert-butyl N-[(1R)-1-(3-methyl-2,6-dioxo-7H-purin-8-yl)-2-pyridin-2-ylethyl]carbamate
CID 129249546
tert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-4-ethenylimino-1-oxohex-5-en-2-yl]carbamate
CID 145335930
tert-butyl N-[(2R)-1-[methoxy(methyl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate
CID 59799807
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(pyrimidin-2-ylamino)propan-2-yl]carbamate
CID 110677846
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(pyridin-2-ylmethylsulfanyl)propanoic acid
CID 66972690
tert-butyl N-[1-(2-fluorophenyl)-3-oxo-4-pyridin-2-ylbutan-2-yl]carbamate
CID 77156771
tert-butyl N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate
CID 58651195
tert-butyl N-[6-amino-1-oxo-1-(2-pyridin-2-ylethylamino)hexan-2-yl]carbamate
CID 19027342
(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one
CID 58458155
tert-butyl N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]amino]-3-pyridin-2-ylpropan-2-yl]carbamate
CID 166169824
tert-butyl N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]carbamate
CID 14774478

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate (CID 129250162) is tert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate is Cn1c(N)c(NC(=O)C(Cc2ccccn2)NC(=O)OC(C)(C)C)c(=O)[nH]c1=O.
What is the InChIKey of tert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate?
The InChIKey is GMTOUKLIUABNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O5/c1-18(2,3)29-17(28)21-11(9-10-7-5-6-8-20-10)14(25)22-12-13(19)24(4)16(27)23-15(12)26/h5-8,11H,9,19H2,1-4H3,(H,21,28)(H,22,25)(H,23,26,27).
What are the key properties of tert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate?
tert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate has a molecular weight of 404.43 g/mol, XLogP of 0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate is sourced from PubChem (CID 129250162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).