4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine

C18H21N5O — CID 110874996

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3c2ccn3C)CC1
InChIInChI=1S/C18H21N5O/c1-21-8-7-14-17(21)19-13-20-18(14)23-11-9-22(10-12-23)15-5-3-4-6-16(15)24-2/h3-8,13H,9-12H2,1-2H3
InChIKeyGBXGSXQPFWPQHR-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.30
Rot. Bonds3

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine

4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 110874996) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
PubChem CID110874996
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3c2ccn3C)CC1
InChIInChI=1S/C18H21N5O/c1-21-8-7-14-17(21)19-13-20-18(14)23-11-9-22(10-12-23)15-5-3-4-6-16(15)24-2/h3-8,13H,9-12H2,1-2H3
InChIKeyGBXGSXQPFWPQHR-UHFFFAOYSA-N
XLogP2.30
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine
CID 110874977
4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 4811206
1-cyclopentyl-4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]pyrazolo[5,4-d]pyrimidine
CID 123979175
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 51491376
(3aR,5R,6R,7aS)-6-(2-methoxyphenoxy)-2-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172671084
1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 123351984
N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875105
1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 110875036
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-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]benzenesulfonamide
CID 171998071
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557462

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine (CID 110874996) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine is COc1ccccc1N1CCN(c2ncnc3c2ccn3C)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is GBXGSXQPFWPQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-21-8-7-14-17(21)19-13-20-18(14)23-11-9-22(10-12-23)15-5-3-4-6-16(15)24-2/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 323.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 110874996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).