4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine

C24H23ClN4S — CID 91965219

IUPAC4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCN(Cc4ccc(Cl)cc4)CC3)nc(-c3ccccc3)nc2s1
InChIInChI=1S/C24H23ClN4S/c1-17-15-21-23(26-22(27-24(21)30-17)19-5-3-2-4-6-19)29-13-11-28(12-14-29)16-18-7-9-20(25)10-8-18/h2-10,15H,11-14,16H2,1H3
InChIKeyVOSCRFTVUGTQOM-UHFFFAOYSA-N
MW435.00 g/mol
LogP5.64
Rot. Bonds4

About 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine

4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine (PubChem CID 91965219) has the molecular formula C24H23ClN4S and a molecular weight of 435.00 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine
PubChem CID91965219
Molecular FormulaC24H23ClN4S
Molecular Weight435.00 g/mol
Exact Mass434.13
IUPAC Name4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCN(Cc4ccc(Cl)cc4)CC3)nc(-c3ccccc3)nc2s1
InChIInChI=1S/C24H23ClN4S/c1-17-15-21-23(26-22(27-24(21)30-17)19-5-3-2-4-6-19)29-13-11-28(12-14-29)16-18-7-9-20(25)10-8-18/h2-10,15H,11-14,16H2,1H3
InChIKeyVOSCRFTVUGTQOM-UHFFFAOYSA-N
XLogP5.64
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.00
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzylpiperazin-1-yl)-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965217
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965221
ethyl 4-(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 91965227
4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 985301
4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline
CID 1191881
4-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline
CID 11123999
2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91965038
4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine
CID 50947714
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 4060720
4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965383
4-(azepan-1-yl)-2-benzyl-6-methylthieno[2,3-d]pyrimidine
CID 91965066
4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965375

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine (CID 91965219) is 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine is Cc1cc2c(N3CCN(Cc4ccc(Cl)cc4)CC3)nc(-c3ccccc3)nc2s1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine?
The InChIKey is VOSCRFTVUGTQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4S/c1-17-15-21-23(26-22(27-24(21)30-17)19-5-3-2-4-6-19)29-13-11-28(12-14-29)16-18-7-9-20(25)10-8-18/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine?
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine has a molecular weight of 435.00 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 91965219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).