N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine

C23H27N5O — CID 112890988

IUPACN-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine
SMILESCOc1ccccc1N1CCN(c2ccnc(N(C)Cc3ccccc3)n2)CC1
InChIInChI=1S/C23H27N5O/c1-26(18-19-8-4-3-5-9-19)23-24-13-12-22(25-23)28-16-14-27(15-17-28)20-10-6-7-11-21(20)29-2/h3-13H,14-18H2,1-2H3
InChIKeyUVYUMIKEJHNTQU-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.45
Rot. Bonds6

About N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine

N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine (PubChem CID 112890988) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine
PubChem CID112890988
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine
SMILESCOc1ccccc1N1CCN(c2ccnc(N(C)Cc3ccccc3)n2)CC1
InChIInChI=1S/C23H27N5O/c1-26(18-19-8-4-3-5-9-19)23-24-13-12-22(25-23)28-16-14-27(15-17-28)20-10-6-7-11-21(20)29-2/h3-13H,14-18H2,1-2H3
InChIKeyUVYUMIKEJHNTQU-UHFFFAOYSA-N
XLogP3.45
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine
CID 112890975
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112893579
N-[2-(cyclohexen-1-yl)ethyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112885578
N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884459
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)pyrimidin-4-amine
CID 112893947
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 112895723
N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893045
1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
CID 669263
N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 112887960
N-methyl-N-phenyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883885
N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112890826

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine (CID 112890988) is N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine is COc1ccccc1N1CCN(c2ccnc(N(C)Cc3ccccc3)n2)CC1.
What is the InChIKey of N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine?
The InChIKey is UVYUMIKEJHNTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-26(18-19-8-4-3-5-9-19)23-24-13-12-22(25-23)28-16-14-27(15-17-28)20-10-6-7-11-21(20)29-2/h3-13H,14-18H2,1-2H3.
What are the key properties of N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine?
N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine has a molecular weight of 389.50 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 112890988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).