tert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate

C19H22ClN5O4 — CID 166164494

IUPACtert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate
SMILESCc1cc(-c2cc3nc(Cl)nc(N4CCOCC4)c3o2)n(C(=O)OC(C)(C)C)n1
InChIInChI=1S/C19H22ClN5O4/c1-11-9-13(25(23-11)18(26)29-19(2,3)4)14-10-12-15(28-14)16(22-17(20)21-12)24-5-7-27-8-6-24/h9-10H,5-8H2,1-4H3
InChIKeyNIOMNBWWOLPZHE-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.67
Rot. Bonds2

About tert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate

tert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate (PubChem CID 166164494) has the molecular formula C19H22ClN5O4 and a molecular weight of 419.87 g/mol. Its IUPAC name is tert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate
PubChem CID166164494
Molecular FormulaC19H22ClN5O4
Molecular Weight419.87 g/mol
Exact Mass419.14
IUPAC Nametert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate
SMILESCc1cc(-c2cc3nc(Cl)nc(N4CCOCC4)c3o2)n(C(=O)OC(C)(C)C)n1
InChIInChI=1S/C19H22ClN5O4/c1-11-9-13(25(23-11)18(26)29-19(2,3)4)14-10-12-15(28-14)16(22-17(20)21-12)24-5-7-27-8-6-24/h9-10H,5-8H2,1-4H3
InChIKeyNIOMNBWWOLPZHE-UHFFFAOYSA-N
XLogP3.67
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate with MolForge

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Related Compounds

2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 86618417
tert-butyl 4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazine-1-carboxylate
CID 57494058
tert-butyl 2-chloro-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 59239183
tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate
CID 166485451
2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide
CID 166738382
tert-butyl 3-[(5-amino-2-chloro-6-morpholin-4-ylpyrimidin-4-yl)amino]azetidine-1-carboxylate
CID 86632672
tert-butyl 7-chloro-8-morpholin-4-yl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylate
CID 67279788
tert-butyl 3-(2-chloro-9-methyl-6-morpholin-4-ylpurin-8-yl)-3-hydroxypiperidine-1-carboxylate
CID 59605825
2-chloro-4-morpholin-4-ylquinazolin-7-ol
CID 137308981
ethyl 4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 87268139
tert-butyl 4-(6-methyl-2-morpholin-4-ylpyrimidine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 95752738
tert-butyl 2,4-dichloro-6,7-dihydropyrimido[5,4-b][1,4]oxazine-8-carboxylate
CID 142478107

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate?
The IUPAC name of tert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate (CID 166164494) is tert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate is Cc1cc(-c2cc3nc(Cl)nc(N4CCOCC4)c3o2)n(C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate?
The InChIKey is NIOMNBWWOLPZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O4/c1-11-9-13(25(23-11)18(26)29-19(2,3)4)14-10-12-15(28-14)16(22-17(20)21-12)24-5-7-27-8-6-24/h9-10H,5-8H2,1-4H3.
What are the key properties of tert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate?
tert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate has a molecular weight of 419.87 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate is sourced from PubChem (CID 166164494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).