7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine

C17H19N5 — CID 110874977

IUPAC7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine
SMILESCn1ccc2c(N3CCN(c4ccccc4)CC3)ncnc21
InChIInChI=1S/C17H19N5/c1-20-8-7-15-16(20)18-13-19-17(15)22-11-9-21(10-12-22)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
InChIKeyHXJSLVIYUWHBMQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.29
Rot. Bonds2

About 7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine

7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine (PubChem CID 110874977) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine
PubChem CID110874977
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine
SMILESCn1ccc2c(N3CCN(c4ccccc4)CC3)ncnc21
InChIInChI=1S/C17H19N5/c1-20-8-7-15-16(20)18-13-19-17(15)22-11-9-21(10-12-22)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
InChIKeyHXJSLVIYUWHBMQ-UHFFFAOYSA-N
XLogP2.29
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide
CID 171998071
4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
CID 110874996
4-[4-(difluoromethyl)piperidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
CID 166602226
7-methyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrrolo[2,3-d]pyrimidine
CID 165435618
4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol
CID 163356828
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
CID 171994855
N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 165435142
1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1301905
1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 110875036
9-ethyl-6-(4-phenylpiperazin-1-yl)purine
CID 155980574
N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 163357688

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine (CID 110874977) is 7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine is Cn1ccc2c(N3CCN(c4ccccc4)CC3)ncnc21.
What is the InChIKey of 7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is HXJSLVIYUWHBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-20-8-7-15-16(20)18-13-19-17(15)22-11-9-21(10-12-22)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3.
What are the key properties of 7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine?
7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 293.37 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 110874977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).