tert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate

C20H33N5O3 — CID 164531046

IUPACtert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate
SMILESCc1nc2c(c(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n1)OCC(C(C)C)N2
InChIInChI=1S/C20H33N5O3/c1-12(2)15-11-27-16-17(23-15)21-13(3)22-18(16)25-9-8-14(10-25)24(7)19(26)28-20(4,5)6/h12,14-15H,8-11H2,1-7H3,(H,21,22,23)/t14-,15?/m1/s1
InChIKeyZEOWQFXOQNWCJE-GICMACPYSA-N
MW391.52 g/mol
LogP3.06
Rot. Bonds3

About tert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate

tert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate (PubChem CID 164531046) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate
PubChem CID164531046
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Nametert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate
SMILESCc1nc2c(c(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n1)OCC(C(C)C)N2
InChIInChI=1S/C20H33N5O3/c1-12(2)15-11-27-16-17(23-15)21-13(3)22-18(16)25-9-8-14(10-25)24(7)19(26)28-20(4,5)6/h12,14-15H,8-11H2,1-7H3,(H,21,22,23)/t14-,15?/m1/s1
InChIKeyZEOWQFXOQNWCJE-GICMACPYSA-N
XLogP3.06
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl (7R)-7-cyclopropyl-4-[(3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine-8-carboxylate
CID 164531115
tert-butyl N-[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 133320736
6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxylic acid
CID 175506304
tert-butyl N-[(3R)-1-(12-bromo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)pyrrolidin-3-yl]-N-methylcarbamate
CID 131741487
tert-butyl N-methyl-N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 119028664
tert-butyl N-[(3R)-1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate
CID 131741485
tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate
CID 132508976
tert-butyl N-[(3R)-1-(5-iodo-2-pyridinyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 59704510
tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate
CID 165119706
tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate
CID 146078134
tert-butyl N-methyl-N-[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]carbamate
CID 87119309
tert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate
CID 168978264

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate (CID 164531046) is tert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate is Cc1nc2c(c(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n1)OCC(C(C)C)N2.
What is the InChIKey of tert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is ZEOWQFXOQNWCJE-GICMACPYSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-12(2)15-11-27-16-17(23-15)21-13(3)22-18(16)25-9-8-14(10-25)24(7)19(26)28-20(4,5)6/h12,14-15H,8-11H2,1-7H3,(H,21,22,23)/t14-,15?/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate?
tert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 391.52 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3R)-1-(2-methyl-7-propan-2-yl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 164531046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).