1-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]indole

C19H23N5 — CID 175814165

IUPAC1-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]indole
SMILESCc1ncnc(N2CCN(Cn3ccc4ccccc43)CC2)c1C
InChIInChI=1S/C19H23N5/c1-15-16(2)20-13-21-19(15)23-11-9-22(10-12-23)14-24-8-7-17-5-3-4-6-18(17)24/h3-8,13H,9-12,14H2,1-2H3
InChIKeyDRTNUVFWVPGPJO-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.83
Rot. Bonds3

About 1-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]indole

1-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]indole (PubChem CID 175814165) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]indole.

Molecular Properties

Compound Name1-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]indole
PubChem CID175814165
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name1-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]indole
SMILESCc1ncnc(N2CCN(Cn3ccc4ccccc43)CC2)c1C
InChIInChI=1S/C19H23N5/c1-15-16(2)20-13-21-19(15)23-11-9-22(10-12-23)14-24-8-7-17-5-3-4-6-18(17)24/h3-8,13H,9-12,14H2,1-2H3
InChIKeyDRTNUVFWVPGPJO-UHFFFAOYSA-N
XLogP2.83
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline
CID 139027361
4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 154829084
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 142220575
4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 163352081
4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074558
(2R)-2-[2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]phenoxy]propanoic acid
CID 99936767
4,5-dimethyl-6-[4-[4-(4-phenylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]pyrimidine
CID 155976322
1-[[3,5-bis(indol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]indole
CID 102177432
4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 146074300
1-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 3018029
4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine
CID 139028592
4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72872204

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]indole?
The IUPAC name of 1-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]indole (CID 175814165) is 1-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]indole.
What is the SMILES notation for 1-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]indole?
The canonical SMILES for 1-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]indole is Cc1ncnc(N2CCN(Cn3ccc4ccccc43)CC2)c1C.
What is the InChIKey of 1-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]indole?
The InChIKey is DRTNUVFWVPGPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-15-16(2)20-13-21-19(15)23-11-9-22(10-12-23)14-24-8-7-17-5-3-4-6-18(17)24/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]indole?
1-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]indole has a molecular weight of 321.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]indole is sourced from PubChem (CID 175814165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).