N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

C23H27N5O — CID 112872910

IUPACN-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(N3CCN(c4ccccc4)CC3)nc(C)n2)cc1
InChIInChI=1S/C23H27N5O/c1-18-25-22(24-17-19-8-10-21(29-2)11-9-19)16-23(26-18)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3,(H,24,25,26)
InChIKeyYKIJWBSCBSTYRG-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.73
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112872910) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112872910
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(N3CCN(c4ccccc4)CC3)nc(C)n2)cc1
InChIInChI=1S/C23H27N5O/c1-18-25-22(24-17-19-8-10-21(29-2)11-9-19)16-23(26-18)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3,(H,24,25,26)
InChIKeyYKIJWBSCBSTYRG-UHFFFAOYSA-N
XLogP3.73
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112873258
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872901
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880936
2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112873690
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172
N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112871532
N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874751
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112870727
N-(2-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874750
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
N-[(4-chlorophenyl)methyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868436
4-N-[(4-methoxyphenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872921

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 112872910) is N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is COc1ccc(CNc2cc(N3CCN(c4ccccc4)CC3)nc(C)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is YKIJWBSCBSTYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-18-25-22(24-17-19-8-10-21(29-2)11-9-19)16-23(26-18)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3,(H,24,25,26).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 389.50 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112872910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).