6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine

C17H23N5O — CID 72841234

IUPAC6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine
SMILESCOc1ccccc1N1CCN(c2cc(N)ncn2)CC1(C)C
InChIInChI=1S/C17H23N5O/c1-17(2)11-21(16-10-15(18)19-12-20-16)8-9-22(17)13-6-4-5-7-14(13)23-3/h4-7,10,12H,8-9,11H2,1-3H3,(H2,18,19,20)
InChIKeyFQDKPHACEFLTHG-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.17
Rot. Bonds3

About 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine

6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine (PubChem CID 72841234) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine
PubChem CID72841234
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine
SMILESCOc1ccccc1N1CCN(c2cc(N)ncn2)CC1(C)C
InChIInChI=1S/C17H23N5O/c1-17(2)11-21(16-10-15(18)19-12-20-16)8-9-22(17)13-6-4-5-7-14(13)23-3/h4-7,10,12H,8-9,11H2,1-3H3,(H2,18,19,20)
InChIKeyFQDKPHACEFLTHG-UHFFFAOYSA-N
XLogP2.17
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol
CID 72884550
2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole
CID 70740105
6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 78929785
1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine
CID 70395500
6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 78929760
3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902353
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112863083
N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112863112
4-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzonitrile
CID 112863109
3-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzonitrile
CID 112863108
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine
CID 112863075

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine (CID 72841234) is 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine is COc1ccccc1N1CCN(c2cc(N)ncn2)CC1(C)C.
What is the InChIKey of 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine?
The InChIKey is FQDKPHACEFLTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-17(2)11-21(16-10-15(18)19-12-20-16)8-9-22(17)13-6-4-5-7-14(13)23-3/h4-7,10,12H,8-9,11H2,1-3H3,(H2,18,19,20).
What are the key properties of 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine?
6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine has a molecular weight of 313.41 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 72841234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).