6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine

C20H29N5O — CID 112863075

IUPAC6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCOc1ccccc1N1CCN(c2cc(NCCC(C)C)ncn2)CC1
InChIInChI=1S/C20H29N5O/c1-16(2)8-9-21-19-14-20(23-15-22-19)25-12-10-24(11-13-25)17-6-4-5-7-18(17)26-3/h4-7,14-16H,8-13H2,1-3H3,(H,21,22,23)
InChIKeyYNCALDFADYKNAX-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.27
Rot. Bonds7

About 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine

6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine (PubChem CID 112863075) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine
PubChem CID112863075
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCOc1ccccc1N1CCN(c2cc(NCCC(C)C)ncn2)CC1
InChIInChI=1S/C20H29N5O/c1-16(2)8-9-21-19-14-20(23-15-22-19)25-12-10-24(11-13-25)17-6-4-5-7-18(17)26-3/h4-7,14-16H,8-13H2,1-3H3,(H,21,22,23)
InChIKeyYNCALDFADYKNAX-UHFFFAOYSA-N
XLogP3.27
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863365
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112863083
4-N-(2-methoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864024
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
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine
CID 112863022
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112856705
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-4-amine
CID 112856883
4-(2-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111133651
N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112856870

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine (CID 112863075) is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine is COc1ccccc1N1CCN(c2cc(NCCC(C)C)ncn2)CC1.
What is the InChIKey of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine?
The InChIKey is YNCALDFADYKNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-16(2)8-9-21-19-14-20(23-15-22-19)25-12-10-24(11-13-25)17-6-4-5-7-18(17)26-3/h4-7,14-16H,8-13H2,1-3H3,(H,21,22,23).
What are the key properties of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine?
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine has a molecular weight of 355.49 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 112863075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).