4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine

C20H22N6O — CID 19152632

IUPAC4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(N3CCN(c4ccccn4)CC3)c2N)cc1
InChIInChI=1S/C20H22N6O/c1-15-5-7-16(8-6-15)27-20-18(21)19(23-14-24-20)26-12-10-25(11-13-26)17-4-2-3-9-22-17/h2-9,14H,10-13,21H2,1H3
InChIKeyXUZKUEWGWSIBTL-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.88
Rot. Bonds4

About 4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine

4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine (PubChem CID 19152632) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
PubChem CID19152632
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(N3CCN(c4ccccn4)CC3)c2N)cc1
InChIInChI=1S/C20H22N6O/c1-15-5-7-16(8-6-15)27-20-18(21)19(23-14-24-20)26-12-10-25(11-13-26)17-4-2-3-9-22-17/h2-9,14H,10-13,21H2,1H3
InChIKeyXUZKUEWGWSIBTL-UHFFFAOYSA-N
XLogP2.88
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152572
4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138635
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137368
4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19142004
6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19137203
4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22543614
4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19139382
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine
CID 19152575
4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine
CID 19152669
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(4-methylphenoxy)pyrimidin-5-amine
CID 19152633
4-(azepan-1-yl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine
CID 22540689
4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine
CID 19137603

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine (CID 19152632) is 4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine is Cc1ccc(Oc2ncnc(N3CCN(c4ccccn4)CC3)c2N)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine?
The InChIKey is XUZKUEWGWSIBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-15-5-7-16(8-6-15)27-20-18(21)19(23-14-24-20)26-12-10-25(11-13-26)17-4-2-3-9-22-17/h2-9,14H,10-13,21H2,1H3.
What are the key properties of 4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine?
4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine has a molecular weight of 362.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 19152632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).