4-(4-methylpiperazin-1-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine

C24H25N5O — CID 165390851

IUPAC4-(4-methylpiperazin-1-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCN1CCN(c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)CC1
InChIInChI=1S/C24H25N5O/c1-28-11-13-29(14-12-28)24-21-15-22(27-23(21)25-17-26-24)19-7-9-20(10-8-19)30-16-18-5-3-2-4-6-18/h2-10,15,17H,11-14,16H2,1H3,(H,25,26,27)
InChIKeyHMAKHUKYSSPNLO-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.96
Rot. Bonds5

About 4-(4-methylpiperazin-1-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine

4-(4-methylpiperazin-1-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 165390851) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID165390851
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name4-(4-methylpiperazin-1-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCN1CCN(c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)CC1
InChIInChI=1S/C24H25N5O/c1-28-11-13-29(14-12-28)24-21-15-22(27-23(21)25-17-26-24)19-7-9-20(10-8-19)30-16-18-5-3-2-4-6-18/h2-10,15,17H,11-14,16H2,1H3,(H,25,26,27)
InChIKeyHMAKHUKYSSPNLO-UHFFFAOYSA-N
XLogP3.96
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 165390851) is 4-(4-methylpiperazin-1-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine is CN1CCN(c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is HMAKHUKYSSPNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-28-11-13-29(14-12-28)24-21-15-22(27-23(21)25-17-26-24)19-7-9-20(10-8-19)30-16-18-5-3-2-4-6-18/h2-10,15,17H,11-14,16H2,1H3,(H,25,26,27).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(4-methylpiperazin-1-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 399.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 165390851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).