5-[(2-amino-2-methylpropyl)amino]-7-(3,5-dimethoxyanilino)-2-phenylimidazo[1,2-c]pyrimidine-8-carboxamide

C25H29N7O3 — CID 10457649

IUPAC5-[(2-amino-2-methylpropyl)amino]-7-(3,5-dimethoxyanilino)-2-phenylimidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCC(C)(C)N)n3cc(-c4ccccc4)nc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C25H29N7O3/c1-25(2,27)14-28-24-31-22(29-16-10-17(34-3)12-18(11-16)35-4)20(21(26)33)23-30-19(13-32(23)24)15-8-6-5-7-9-15/h5-13,29H,14,27H2,1-4H3,(H2,26,33)(H,28,31)
InChIKeyVTOIZTHVLKSUOX-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.41
Rot. Bonds9

About 5-[(2-amino-2-methylpropyl)amino]-7-(3,5-dimethoxyanilino)-2-phenylimidazo[1,2-c]pyrimidine-8-carboxamide

5-[(2-amino-2-methylpropyl)amino]-7-(3,5-dimethoxyanilino)-2-phenylimidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 10457649) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 5-[(2-amino-2-methylpropyl)amino]-7-(3,5-dimethoxyanilino)-2-phenylimidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name5-[(2-amino-2-methylpropyl)amino]-7-(3,5-dimethoxyanilino)-2-phenylimidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID10457649
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC Name5-[(2-amino-2-methylpropyl)amino]-7-(3,5-dimethoxyanilino)-2-phenylimidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCC(C)(C)N)n3cc(-c4ccccc4)nc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C25H29N7O3/c1-25(2,27)14-28-24-31-22(29-16-10-17(34-3)12-18(11-16)35-4)20(21(26)33)23-30-19(13-32(23)24)15-8-6-5-7-9-15/h5-13,29H,14,27H2,1-4H3,(H2,26,33)(H,28,31)
InChIKeyVTOIZTHVLKSUOX-UHFFFAOYSA-N
XLogP3.41
TPSA141.82 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-methylpropyl)amino]-7-(3,5-dimethoxyanilino)-2-phenylimidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 5-[(2-amino-2-methylpropyl)amino]-7-(3,5-dimethoxyanilino)-2-phenylimidazo[1,2-c]pyrimidine-8-carboxamide (CID 10457649) is 5-[(2-amino-2-methylpropyl)amino]-7-(3,5-dimethoxyanilino)-2-phenylimidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 5-[(2-amino-2-methylpropyl)amino]-7-(3,5-dimethoxyanilino)-2-phenylimidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 5-[(2-amino-2-methylpropyl)amino]-7-(3,5-dimethoxyanilino)-2-phenylimidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(NCC(C)(C)N)n3cc(-c4ccccc4)nc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 5-[(2-amino-2-methylpropyl)amino]-7-(3,5-dimethoxyanilino)-2-phenylimidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is VTOIZTHVLKSUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-25(2,27)14-28-24-31-22(29-16-10-17(34-3)12-18(11-16)35-4)20(21(26)33)23-30-19(13-32(23)24)15-8-6-5-7-9-15/h5-13,29H,14,27H2,1-4H3,(H2,26,33)(H,28,31).
What are the key properties of 5-[(2-amino-2-methylpropyl)amino]-7-(3,5-dimethoxyanilino)-2-phenylimidazo[1,2-c]pyrimidine-8-carboxamide?
5-[(2-amino-2-methylpropyl)amino]-7-(3,5-dimethoxyanilino)-2-phenylimidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 3.41, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-methylpropyl)amino]-7-(3,5-dimethoxyanilino)-2-phenylimidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 10457649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).