7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine

C25H27N5O2 — CID 20805928

IUPAC7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine
SMILESCOc1ccc(-c2cc3nccn3c(N3CCN(c4ccc(C)cc4)CC3)n2)cc1OC
InChIInChI=1S/C25H27N5O2/c1-18-4-7-20(8-5-18)28-12-14-29(15-13-28)25-27-21(17-24-26-10-11-30(24)25)19-6-9-22(31-2)23(16-19)32-3/h4-11,16-17H,12-15H2,1-3H3
InChIKeyOXGKHQHOCZSBRP-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.05
Rot. Bonds5

About 7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine

7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine (PubChem CID 20805928) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine
PubChem CID20805928
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine
SMILESCOc1ccc(-c2cc3nccn3c(N3CCN(c4ccc(C)cc4)CC3)n2)cc1OC
InChIInChI=1S/C25H27N5O2/c1-18-4-7-20(8-5-18)28-12-14-29(15-13-28)25-27-21(17-24-26-10-11-30(24)25)19-6-9-22(31-2)23(16-19)32-3/h4-11,16-17H,12-15H2,1-3H3
InChIKeyOXGKHQHOCZSBRP-UHFFFAOYSA-N
XLogP4.05
TPSA55.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-[4-(4-chlorophenyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidine
CID 20805768
methyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate
CID 20806107
6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine
CID 110171978
4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline
CID 20806044
2-[4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylphenyl]sulfanylacetic acid
CID 20805767
N-(3,5-difluorophenyl)-7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 20806138
5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol
CID 20806083
4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine
CID 20805814
4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine
CID 2854304
7-(3,4-dimethoxyphenyl)-N-(4-propan-2-yloxyphenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 20805975
3-[4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylphenyl]-N,N-dimethylpropanamide
CID 20805860
2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 1434726

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine (CID 20805928) is 7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine is COc1ccc(-c2cc3nccn3c(N3CCN(c4ccc(C)cc4)CC3)n2)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine?
The InChIKey is OXGKHQHOCZSBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-18-4-7-20(8-5-18)28-12-14-29(15-13-28)25-27-21(17-24-26-10-11-30(24)25)19-6-9-22(31-2)23(16-19)32-3/h4-11,16-17H,12-15H2,1-3H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine?
7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine has a molecular weight of 429.52 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 20805928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).