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

C22H22N6O3 — CID 25138154

IUPAC5-(benzylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C22H22N6O3/c1-30-16-10-15(11-17(12-16)31-2)26-20-18(19(23)29)21-24-8-9-28(21)22(27-20)25-13-14-6-4-3-5-7-14/h3-12,26H,13H2,1-2H3,(H2,23,29)(H,25,27)
InChIKeyGRRKTGVFONLPOF-UHFFFAOYSA-N
MW418.46 g/mol
LogP3.20
Rot. Bonds8

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

5-(benzylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 25138154) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 5-(benzylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID25138154
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name5-(benzylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C22H22N6O3/c1-30-16-10-15(11-17(12-16)31-2)26-20-18(19(23)29)21-24-8-9-28(21)22(27-20)25-13-14-6-4-3-5-7-14/h3-12,26H,13H2,1-2H3,(H2,23,29)(H,25,27)
InChIKeyGRRKTGVFONLPOF-UHFFFAOYSA-N
XLogP3.20
TPSA115.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2h
CID 5329421
Imidazo[1,2-c]pyrimidine-8-carboxamide, 27
CID 10005715
Imidazo[1,2-c]pyrimidine-8-carboxamide, 26
CID 10075240
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10j
CID 10253089
7-[(2-Amino-2-methylpropyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16743447
4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 134214787
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(4-methoxyphenyl)methyl]propanamide
CID 16009052
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10o
CID 9866765
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10c
CID 25138153
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10g
CID 25138157
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10h
CID 25138158

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 5-(benzylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (CID 25138154) is 5-(benzylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 5-(benzylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 5-(benzylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(NCc3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 5-(benzylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is GRRKTGVFONLPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-30-16-10-15(11-17(12-16)31-2)26-20-18(19(23)29)21-24-8-9-28(21)22(27-20)25-13-14-6-4-3-5-7-14/h3-12,26H,13H2,1-2H3,(H2,23,29)(H,25,27).
What are the key properties of 5-(benzylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
5-(benzylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 25138154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).