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

C22H25N5O — CID 112863083

IUPAC6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccccc1N1CCN(c2cc(Nc3ccccc3C)ncn2)CC1
InChIInChI=1S/C22H25N5O/c1-17-7-3-4-8-18(17)25-21-15-22(24-16-23-21)27-13-11-26(12-14-27)19-9-5-6-10-20(19)28-2/h3-10,15-16H,11-14H2,1-2H3,(H,23,24,25)
InChIKeyPWFBXOSTJNTGMJ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.86
Rot. Bonds5

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

6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine (PubChem CID 112863083) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
PubChem CID112863083
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccccc1N1CCN(c2cc(Nc3ccccc3C)ncn2)CC1
InChIInChI=1S/C22H25N5O/c1-17-7-3-4-8-18(17)25-21-15-22(24-16-23-21)27-13-11-26(12-14-27)19-9-5-6-10-20(19)28-2/h3-10,15-16H,11-14H2,1-2H3,(H,23,24,25)
InChIKeyPWFBXOSTJNTGMJ-UHFFFAOYSA-N
XLogP3.86
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112863112
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112864698
4-[6-(2-methylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858270
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
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 112862333
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine
CID 112863075
N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 112875375
N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863304
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122348977

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine (CID 112863083) is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine is COc1ccccc1N1CCN(c2cc(Nc3ccccc3C)ncn2)CC1.
What is the InChIKey of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine?
The InChIKey is PWFBXOSTJNTGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-17-7-3-4-8-18(17)25-21-15-22(24-16-23-21)27-13-11-26(12-14-27)19-9-5-6-10-20(19)28-2/h3-10,15-16H,11-14H2,1-2H3,(H,23,24,25).
What are the key properties of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine?
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 3.86, 5 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-(2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112863083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).