4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine

C22H25N5O2 — CID 19139386

IUPAC4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
SMILESCOc1ccccc1Oc1ncnc(N2CCN(Cc3ccccc3)CC2)c1N
InChIInChI=1S/C22H25N5O2/c1-28-18-9-5-6-10-19(18)29-22-20(23)21(24-16-25-22)27-13-11-26(12-14-27)15-17-7-3-2-4-8-17/h2-10,16H,11-15,23H2,1H3
InChIKeyVUYZFMPDQAGSEB-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.18
Rot. Bonds6

About 4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine

4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine (PubChem CID 19139386) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
PubChem CID19139386
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
SMILESCOc1ccccc1Oc1ncnc(N2CCN(Cc3ccccc3)CC2)c1N
InChIInChI=1S/C22H25N5O2/c1-28-18-9-5-6-10-19(18)29-22-20(23)21(24-16-25-22)27-13-11-26(12-14-27)15-17-7-3-2-4-8-17/h2-10,16H,11-15,23H2,1H3
InChIKeyVUYZFMPDQAGSEB-UHFFFAOYSA-N
XLogP3.18
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19138506
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19153651
4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19139382
4-(4-benzylpiperazin-1-yl)-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-5-amine
CID 19139347
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19153728
4-(2-methoxyphenoxy)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19139037
4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140409
4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19136894
4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine
CID 46359635
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19153652
4-naphthalen-1-yloxy-6-piperidin-1-ylpyrimidin-5-amine
CID 22541377

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine (CID 19139386) is 4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine is COc1ccccc1Oc1ncnc(N2CCN(Cc3ccccc3)CC2)c1N.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The InChIKey is VUYZFMPDQAGSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-28-18-9-5-6-10-19(18)29-22-20(23)21(24-16-25-22)27-13-11-26(12-14-27)15-17-7-3-2-4-8-17/h2-10,16H,11-15,23H2,1H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine has a molecular weight of 391.48 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 19139386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).