tert-butyl N-[2-[2-(4-aminophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate

C20H27N5O2 — CID 24930251

IUPACtert-butyl N-[2-[2-(4-aminophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCc2cnc(-c3ccc(N)cc3)nc2C1
InChIInChI=1S/C20H27N5O2/c1-20(2,3)27-19(26)22-9-11-25-10-8-15-12-23-18(24-17(15)13-25)14-4-6-16(21)7-5-14/h4-7,12H,8-11,13,21H2,1-3H3,(H,22,26)
InChIKeyUTHPUYULPXEALL-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.61
Rot. Bonds4

About tert-butyl N-[2-[2-(4-aminophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate

tert-butyl N-[2-[2-(4-aminophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate (PubChem CID 24930251) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(4-aminophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(4-aminophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate
PubChem CID24930251
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Nametert-butyl N-[2-[2-(4-aminophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCc2cnc(-c3ccc(N)cc3)nc2C1
InChIInChI=1S/C20H27N5O2/c1-20(2,3)27-19(26)22-9-11-25-10-8-15-12-23-18(24-17(15)13-25)14-4-6-16(21)7-5-14/h4-7,12H,8-11,13,21H2,1-3H3,(H,22,26)
InChIKeyUTHPUYULPXEALL-UHFFFAOYSA-N
XLogP2.61
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(6-amino-3,4-dihydro-1H-isoquinolin-2-yl)butyl]carbamate
CID 82581606
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 82582515
4-[7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 24931259
tert-butyl N-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]carbamate
CID 110457194
tert-butyl N-[2-(4-oxo-2-pyrimidin-5-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)ethyl]carbamate
CID 135865876
tert-butyl N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]carbamate
CID 110456704
tert-butyl N-[[4-[7-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methyl]carbamate
CID 172563788
4-[7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 24931133
tert-butyl N-[4-(5-amino-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]carbamate
CID 110456692
tert-butyl N-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]carbamate
CID 110456851
tert-butyl 2-(4-carbamoylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 118174370
tert-butyl N-[2-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)amino]ethyl]carbamate
CID 103278721

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(4-aminophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(4-aminophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate (CID 24930251) is tert-butyl N-[2-[2-(4-aminophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(4-aminophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(4-aminophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCc2cnc(-c3ccc(N)cc3)nc2C1.
What is the InChIKey of tert-butyl N-[2-[2-(4-aminophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate?
The InChIKey is UTHPUYULPXEALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-20(2,3)27-19(26)22-9-11-25-10-8-15-12-23-18(24-17(15)13-25)14-4-6-16(21)7-5-14/h4-7,12H,8-11,13,21H2,1-3H3,(H,22,26).
What are the key properties of tert-butyl N-[2-[2-(4-aminophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate?
tert-butyl N-[2-[2-(4-aminophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate has a molecular weight of 369.47 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(4-aminophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]carbamate is sourced from PubChem (CID 24930251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).