7-(3,5-dimethoxyanilino)-5-[[(1S)-1-phenylethyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide

C23H24N6O3 — CID 25138158

IUPAC7-(3,5-dimethoxyanilino)-5-[[(1S)-1-phenylethyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(N[C@@H](C)c3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C23H24N6O3/c1-14(15-7-5-4-6-8-15)26-23-28-21(19(20(24)30)22-25-9-10-29(22)23)27-16-11-17(31-2)13-18(12-16)32-3/h4-14,27H,1-3H3,(H2,24,30)(H,26,28)/t14-/m0/s1
InChIKeyCSNAGRSJQPKGQQ-AWEZNQCLSA-N
MW432.48 g/mol
LogP3.76
Rot. Bonds8

About 7-(3,5-dimethoxyanilino)-5-[[(1S)-1-phenylethyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide

7-(3,5-dimethoxyanilino)-5-[[(1S)-1-phenylethyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 25138158) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 7-(3,5-dimethoxyanilino)-5-[[(1S)-1-phenylethyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethoxyanilino)-5-[[(1S)-1-phenylethyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID25138158
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name7-(3,5-dimethoxyanilino)-5-[[(1S)-1-phenylethyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(N[C@@H](C)c3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C23H24N6O3/c1-14(15-7-5-4-6-8-15)26-23-28-21(19(20(24)30)22-25-9-10-29(22)23)27-16-11-17(31-2)13-18(12-16)32-3/h4-14,27H,1-3H3,(H2,24,30)(H,26,28)/t14-/m0/s1
InChIKeyCSNAGRSJQPKGQQ-AWEZNQCLSA-N
XLogP3.76
TPSA115.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethoxyanilino)-5-[[(1S)-1-phenylethyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 7-(3,5-dimethoxyanilino)-5-[[(1S)-1-phenylethyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide (CID 25138158) is 7-(3,5-dimethoxyanilino)-5-[[(1S)-1-phenylethyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 7-(3,5-dimethoxyanilino)-5-[[(1S)-1-phenylethyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 7-(3,5-dimethoxyanilino)-5-[[(1S)-1-phenylethyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(N[C@@H](C)c3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 7-(3,5-dimethoxyanilino)-5-[[(1S)-1-phenylethyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is CSNAGRSJQPKGQQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-14(15-7-5-4-6-8-15)26-23-28-21(19(20(24)30)22-25-9-10-29(22)23)27-16-11-17(31-2)13-18(12-16)32-3/h4-14,27H,1-3H3,(H2,24,30)(H,26,28)/t14-/m0/s1.
What are the key properties of 7-(3,5-dimethoxyanilino)-5-[[(1S)-1-phenylethyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide?
7-(3,5-dimethoxyanilino)-5-[[(1S)-1-phenylethyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.76, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethoxyanilino)-5-[[(1S)-1-phenylethyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 25138158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).