4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine

C20H26N4O2 — CID 155976177

IUPAC4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccc(OC)c(CN2CCN(c3cc(C4CC4)ncn3)CC2)c1
InChIInChI=1S/C20H26N4O2/c1-25-17-5-6-19(26-2)16(11-17)13-23-7-9-24(10-8-23)20-12-18(15-3-4-15)21-14-22-20/h5-6,11-12,14-15H,3-4,7-10,13H2,1-2H3
InChIKeyJISXHKILIRUPPY-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.69
Rot. Bonds6

About 4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine

4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 155976177) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID155976177
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccc(OC)c(CN2CCN(c3cc(C4CC4)ncn3)CC2)c1
InChIInChI=1S/C20H26N4O2/c1-25-17-5-6-19(26-2)16(11-17)13-23-7-9-24(10-8-23)20-12-18(15-3-4-15)21-14-22-20/h5-6,11-12,14-15H,3-4,7-10,13H2,1-2H3
InChIKeyJISXHKILIRUPPY-UHFFFAOYSA-N
XLogP2.69
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155980412
4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 172891247
4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155941962
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine
CID 171701942
4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 163350112
1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine
CID 165435291
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methoxypyrimidine
CID 18095536
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17174343
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4,7-dimethoxy-1,3-benzothiazole
CID 90601970
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55330434

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine (CID 155976177) is 4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine is COc1ccc(OC)c(CN2CCN(c3cc(C4CC4)ncn3)CC2)c1.
What is the InChIKey of 4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is JISXHKILIRUPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-25-17-5-6-19(26-2)16(11-17)13-23-7-9-24(10-8-23)20-12-18(15-3-4-15)21-14-22-20/h5-6,11-12,14-15H,3-4,7-10,13H2,1-2H3.
What are the key properties of 4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine?
4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 354.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 155976177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).