2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine

C17H22N4O — CID 82169369

IUPAC2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine
SMILESCOc1cccc(-c2nc(C)c(C)c(N3CCNCC3)n2)c1
InChIInChI=1S/C17H22N4O/c1-12-13(2)19-16(14-5-4-6-15(11-14)22-3)20-17(12)21-9-7-18-8-10-21/h4-6,11,18H,7-10H2,1-3H3
InChIKeyXICWTDAUHKEDEI-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.18
Rot. Bonds3

About 2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine

2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine (PubChem CID 82169369) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine
PubChem CID82169369
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine
SMILESCOc1cccc(-c2nc(C)c(C)c(N3CCNCC3)n2)c1
InChIInChI=1S/C17H22N4O/c1-12-13(2)19-16(14-5-4-6-15(11-14)22-3)20-17(12)21-9-7-18-8-10-21/h4-6,11,18H,7-10H2,1-3H3
InChIKeyXICWTDAUHKEDEI-UHFFFAOYSA-N
XLogP2.18
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 82169373
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine
CID 82169374
5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine
CID 96667978
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
1-[4-(4,5-dimethyl-6-piperazin-1-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea
CID 123858033
4-(3-methoxyphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 75530198
N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine
CID 133337542
4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971
1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine
CID 56767147
2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66525351
7-methoxy-3-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237209
4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 154618052

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine?
The IUPAC name of 2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine (CID 82169369) is 2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine.
What is the SMILES notation for 2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine?
The canonical SMILES for 2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine is COc1cccc(-c2nc(C)c(C)c(N3CCNCC3)n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine?
The InChIKey is XICWTDAUHKEDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-13(2)19-16(14-5-4-6-15(11-14)22-3)20-17(12)21-9-7-18-8-10-21/h4-6,11,18H,7-10H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine?
2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine has a molecular weight of 298.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine is sourced from PubChem (CID 82169369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).