tert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate

C22H32N6O2 — CID 176671261

IUPACtert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCc1cc(C)c2c(N)nc(NC3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)nc2n1
InChIInChI=1S/C22H32N6O2/c1-13-10-14(2)24-18-16(13)17(23)26-19(27-18)25-15-11-22(12-15)6-8-28(9-7-22)20(29)30-21(3,4)5/h10,15H,6-9,11-12H2,1-5H3,(H3,23,24,25,26,27)
InChIKeyBGRWNCUXKGYTMW-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.82
Rot. Bonds2

About tert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 176671261) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is tert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID176671261
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Nametert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCc1cc(C)c2c(N)nc(NC3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)nc2n1
InChIInChI=1S/C22H32N6O2/c1-13-10-14(2)24-18-16(13)17(23)26-19(27-18)25-15-11-22(12-15)6-8-28(9-7-22)20(29)30-21(3,4)5/h10,15H,6-9,11-12H2,1-5H3,(H3,23,24,25,26,27)
InChIKeyBGRWNCUXKGYTMW-UHFFFAOYSA-N
XLogP3.82
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671273
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 2-(2-amino-5-ethylanilino)-6-azaspiro[3.4]octane-6-carboxylate
CID 159868341
2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671359
tert-butyl 4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate
CID 137307991
tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 56962135
tert-butyl 2-[[6-(4,6-dimethyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]carbamoyloxy]-7-azaspiro[3.5]nonane-7-carboxylate
CID 176695601
tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
CID 104933395
tert-butyl 3-[(4-amino-5-carbamoylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 118043224
tert-butyl 2-(5-fluoro-6-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 156864585
tert-butyl 2-(5-formylindazol-1-yl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 176886255
5,7-dimethyl-2-N-[1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671106

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate (CID 176671261) is tert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate is Cc1cc(C)c2c(N)nc(NC3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)nc2n1.
What is the InChIKey of tert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is BGRWNCUXKGYTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-13-10-14(2)24-18-16(13)17(23)26-19(27-18)25-15-11-22(12-15)6-8-28(9-7-22)20(29)30-21(3,4)5/h10,15H,6-9,11-12H2,1-5H3,(H3,23,24,25,26,27).
What are the key properties of tert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 412.54 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 176671261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).