4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine

C21H23N5O — CID 19138635

IUPAC4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(N3CCN(c4ccccc4)CC3)c2N)cc1
InChIInChI=1S/C21H23N5O/c1-16-7-9-18(10-8-16)27-21-19(22)20(23-15-24-21)26-13-11-25(12-14-26)17-5-3-2-4-6-17/h2-10,15H,11-14,22H2,1H3
InChIKeyNMIQZXPHIHDKRX-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.49
Rot. Bonds4

About 4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine

4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine (PubChem CID 19138635) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
PubChem CID19138635
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(N3CCN(c4ccccc4)CC3)c2N)cc1
InChIInChI=1S/C21H23N5O/c1-16-7-9-18(10-8-16)27-21-19(22)20(23-15-24-21)26-13-11-25(12-14-26)17-5-3-2-4-6-17/h2-10,15H,11-14,22H2,1H3
InChIKeyNMIQZXPHIHDKRX-UHFFFAOYSA-N
XLogP3.49
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137368
4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152632
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine
CID 19152575
4-(2-methoxyphenoxy)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19139037
4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152572
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19153728
4-(4-benzylpiperazin-1-yl)-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-5-amine
CID 19139347
4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19139382
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine
CID 19147484
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine (CID 19138635) is 4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine is Cc1ccc(Oc2ncnc(N3CCN(c4ccccc4)CC3)c2N)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine?
The InChIKey is NMIQZXPHIHDKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-16-7-9-18(10-8-16)27-21-19(22)20(23-15-24-21)26-13-11-25(12-14-26)17-5-3-2-4-6-17/h2-10,15H,11-14,22H2,1H3.
What are the key properties of 4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine?
4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine has a molecular weight of 361.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 19138635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).