tert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate

C20H32N6O3 — CID 150340735

IUPACtert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate
SMILESCc1nc(NC2CC(NC(=O)OC(C)(C)C)C2)nc2c1NC(=O)C(C(C)C)N2C
InChIInChI=1S/C20H32N6O3/c1-10(2)15-17(27)24-14-11(3)21-18(25-16(14)26(15)7)22-12-8-13(9-12)23-19(28)29-20(4,5)6/h10,12-13,15H,8-9H2,1-7H3,(H,23,28)(H,24,27)(H,21,22,25)
InChIKeyGRQVKIFKKAASGO-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.67
Rot. Bonds4

About tert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate

tert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate (PubChem CID 150340735) has the molecular formula C20H32N6O3 and a molecular weight of 404.52 g/mol. Its IUPAC name is tert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate
PubChem CID150340735
Molecular FormulaC20H32N6O3
Molecular Weight404.52 g/mol
Exact Mass404.25
IUPAC Nametert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate
SMILESCc1nc(NC2CC(NC(=O)OC(C)(C)C)C2)nc2c1NC(=O)C(C(C)C)N2C
InChIInChI=1S/C20H32N6O3/c1-10(2)15-17(27)24-14-11(3)21-18(25-16(14)26(15)7)22-12-8-13(9-12)23-19(28)29-20(4,5)6/h10,12-13,15H,8-9H2,1-7H3,(H,23,28)(H,24,27)(H,21,22,25)
InChIKeyGRQVKIFKKAASGO-UHFFFAOYSA-N
XLogP2.67
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate with MolForge

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Related Compounds

(7S)-2-(azetidin-3-ylamino)-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one;2,2,2-trifluoroacetic acid
CID 146195001
(7S)-4,8-dimethyl-2-[[3-[(2-methylpyrazol-3-yl)oxymethyl]cyclobutyl]amino]-7-propan-2-yl-5,7-dihydropteridin-6-one
CID 146194994
(7S)-4,8-dimethyl-7-propan-2-yl-2-[[3-[[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 153444500
4,8-dimethyl-7-propan-2-yl-2-[[1-[5-(trifluoromethyl)thiophene-2-carbonyl]azetidin-3-yl]amino]-5,7-dihydropteridin-6-one
CID 146203015
4,8-dimethyl-2-[[3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]cyclobutyl]amino]-7-propan-2-yl-5,7-dihydropteridin-6-one
CID 146202905
(7S)-4,8-dimethyl-2-[[1-[2-[(7S)-7-methyl-2-bicyclo[2.2.1]heptanyl]acetyl]azetidin-3-yl]amino]-7-propan-2-yl-5,7-dihydropteridin-6-one
CID 146202330
(7S)-7-[(1R)-1-hydroxyethyl]-4,8-dimethyl-2-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146202678
1-(2,3,4-trifluorophenyl)-3-[3-[[(7S)-4,7,8-trimethyl-6-oxo-5,7-dihydropteridin-2-yl]amino]cyclobutyl]urea
CID 146194667
4,8-dimethyl-7-propan-2-yl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-5,7-dihydropteridin-6-one
CID 146202521
(7S)-4,7,8-trimethyl-2-[[3-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146194799
(7R)-7-(hydroxymethyl)-4,8-dimethyl-2-[[3-(3,4,5-trifluorophenoxy)cyclobutyl]amino]-5,7-dihydropteridin-6-one;methane
CID 161040999
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate (CID 150340735) is tert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate is Cc1nc(NC2CC(NC(=O)OC(C)(C)C)C2)nc2c1NC(=O)C(C(C)C)N2C.
What is the InChIKey of tert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate?
The InChIKey is GRQVKIFKKAASGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O3/c1-10(2)15-17(27)24-14-11(3)21-18(25-16(14)26(15)7)22-12-8-13(9-12)23-19(28)29-20(4,5)6/h10,12-13,15H,8-9H2,1-7H3,(H,23,28)(H,24,27)(H,21,22,25).
What are the key properties of tert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate?
tert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate has a molecular weight of 404.52 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]carbamate is sourced from PubChem (CID 150340735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).