tert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate

C19H23ClN4O2 — CID 118239452

IUPACtert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2c(NCc3ccccc3)nc(Cl)nc21
InChIInChI=1S/C19H23ClN4O2/c1-19(2,3)26-18(25)24-11-7-10-14-15(22-17(20)23-16(14)24)21-12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,21,22,23)
InChIKeyNVTZLPLLMCSMLC-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.43
Rot. Bonds3

About tert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate

tert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate (PubChem CID 118239452) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is tert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate
PubChem CID118239452
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Nametert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2c(NCc3ccccc3)nc(Cl)nc21
InChIInChI=1S/C19H23ClN4O2/c1-19(2,3)26-18(25)24-11-7-10-14-15(22-17(20)23-16(14)24)21-12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,21,22,23)
InChIKeyNVTZLPLLMCSMLC-UHFFFAOYSA-N
XLogP4.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate with MolForge

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Related Compounds

tert-butyl 2-chloro-4-phenylmethoxy-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate
CID 170555150
tert-butyl 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate
CID 172584004
tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 11831362
tert-butyl 6-benzyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-1-carboxylate
CID 175695543
tert-butyl N-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 171055996
tert-butyl 7-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 53397403
tert-butyl 2-(4-benzylphenyl)iminopyrrolidine-1-carboxylate
CID 59637372
tert-butyl 7-chloro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl N-(6-chloro-2-pyridinyl)carbamate
CID 159922696
tert-butyl 2-chloro-4-[(3R)-3-cyano-4-phenylmethoxycarbonylpiperazin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 162467077
3-[[(2-chloroquinazolin-4-yl)amino]methyl]benzoic acid
CID 173357452
tert-butyl 4-[6-benzyl-2-chloro-5-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 156843179
tert-butyl 4-(benzylamino)benzoate
CID 67130530

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate?
The IUPAC name of tert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate (CID 118239452) is tert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate.
What is the SMILES notation for tert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate?
The canonical SMILES for tert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate is CC(C)(C)OC(=O)N1CCCc2c(NCc3ccccc3)nc(Cl)nc21.
What is the InChIKey of tert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate?
The InChIKey is NVTZLPLLMCSMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-19(2,3)26-18(25)24-11-7-10-14-15(22-17(20)23-16(14)24)21-12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,21,22,23).
What are the key properties of tert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate?
tert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate has a molecular weight of 374.87 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate is sourced from PubChem (CID 118239452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).