4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine

C18H21N7O — CID 50967833

IUPAC4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1cc(N2CCN(Cc3cccn3-c3ncccn3)CC2)ncn1
InChIInChI=1S/C18H21N7O/c1-26-17-12-16(21-14-22-17)24-10-8-23(9-11-24)13-15-4-2-7-25(15)18-19-5-3-6-20-18/h2-7,12,14H,8-11,13H2,1H3
InChIKeyZWXMONSKJVPDJK-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.39
Rot. Bonds5

About 4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine

4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 50967833) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID50967833
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1cc(N2CCN(Cc3cccn3-c3ncccn3)CC2)ncn1
InChIInChI=1S/C18H21N7O/c1-26-17-12-16(21-14-22-17)24-10-8-23(9-11-24)13-15-4-2-7-25(15)18-19-5-3-6-20-18/h2-7,12,14H,8-11,13H2,1H3
InChIKeyZWXMONSKJVPDJK-UHFFFAOYSA-N
XLogP1.39
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171130683
4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770
4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine
CID 146074484
2-[2-[[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrrol-1-yl]pyrimidine;bis(2,2,2-trifluoroacetic acid)
CID 154886431
4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
CID 80673097
5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942593
2-[2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 163346191
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol
CID 98566069
4-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-6-methoxypyrimidine
CID 165433836
4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166605374
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 155800641
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine (CID 50967833) is 4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine is COc1cc(N2CCN(Cc3cccn3-c3ncccn3)CC2)ncn1.
What is the InChIKey of 4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is ZWXMONSKJVPDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-26-17-12-16(21-14-22-17)24-10-8-23(9-11-24)13-15-4-2-7-25(15)18-19-5-3-6-20-18/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine?
4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 351.41 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 50967833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).