tert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate

C20H27N3O5 — CID 10982006

IUPACtert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate
SMILESCOc1ccc(N2C(=O)CC3C(NC(=O)OC(C)(C)C)CCCN3C2=O)cc1
InChIInChI=1S/C20H27N3O5/c1-20(2,3)28-18(25)21-15-6-5-11-22-16(15)12-17(24)23(19(22)26)13-7-9-14(27-4)10-8-13/h7-10,15-16H,5-6,11-12H2,1-4H3,(H,21,25)
InChIKeyHFHNLZKRKHTICI-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.91
Rot. Bonds3

About tert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate

tert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate (PubChem CID 10982006) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is tert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate
PubChem CID10982006
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Nametert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate
SMILESCOc1ccc(N2C(=O)CC3C(NC(=O)OC(C)(C)C)CCCN3C2=O)cc1
InChIInChI=1S/C20H27N3O5/c1-20(2,3)28-18(25)21-15-6-5-11-22-16(15)12-17(24)23(19(22)26)13-7-9-14(27-4)10-8-13/h7-10,15-16H,5-6,11-12H2,1-4H3,(H,21,25)
InChIKeyHFHNLZKRKHTICI-UHFFFAOYSA-N
XLogP2.91
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]carbamate
CID 92542330
tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
CID 175099449
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113
tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate
CID 163830103
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 95240515
tert-butyl N-[(2S,3S)-3-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
CID 135251327
tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate
CID 168698667
1-cyclopropyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 54924501
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 60836616

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate (CID 10982006) is tert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate is COc1ccc(N2C(=O)CC3C(NC(=O)OC(C)(C)C)CCCN3C2=O)cc1.
What is the InChIKey of tert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate?
The InChIKey is HFHNLZKRKHTICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-20(2,3)28-18(25)21-15-6-5-11-22-16(15)12-17(24)23(19(22)26)13-7-9-14(27-4)10-8-13/h7-10,15-16H,5-6,11-12H2,1-4H3,(H,21,25).
What are the key properties of tert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate?
tert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate has a molecular weight of 389.45 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-methoxyphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]carbamate is sourced from PubChem (CID 10982006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).