4-(4-methylpiperazin-1-yl)-6-phenylmethoxypyrimidin-2-amine

C16H21N5O — CID 46228092

IUPAC4-(4-methylpiperazin-1-yl)-6-phenylmethoxypyrimidin-2-amine
SMILESCN1CCN(c2cc(OCc3ccccc3)nc(N)n2)CC1
InChIInChI=1S/C16H21N5O/c1-20-7-9-21(10-8-20)14-11-15(19-16(17)18-14)22-12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H2,17,18,19)
InChIKeyGOCAMEQQBAPVMS-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.39
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)-6-phenylmethoxypyrimidin-2-amine

4-(4-methylpiperazin-1-yl)-6-phenylmethoxypyrimidin-2-amine (PubChem CID 46228092) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-phenylmethoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-phenylmethoxypyrimidin-2-amine
PubChem CID46228092
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-(4-methylpiperazin-1-yl)-6-phenylmethoxypyrimidin-2-amine
SMILESCN1CCN(c2cc(OCc3ccccc3)nc(N)n2)CC1
InChIInChI=1S/C16H21N5O/c1-20-7-9-21(10-8-20)14-11-15(19-16(17)18-14)22-12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H2,17,18,19)
InChIKeyGOCAMEQQBAPVMS-UHFFFAOYSA-N
XLogP1.39
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-phenylmethoxypyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-phenylmethoxypyrimidin-2-amine (CID 46228092) is 4-(4-methylpiperazin-1-yl)-6-phenylmethoxypyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-phenylmethoxypyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-phenylmethoxypyrimidin-2-amine is CN1CCN(c2cc(OCc3ccccc3)nc(N)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-phenylmethoxypyrimidin-2-amine?
The InChIKey is GOCAMEQQBAPVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20-7-9-21(10-8-20)14-11-15(19-16(17)18-14)22-12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H2,17,18,19).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-phenylmethoxypyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-6-phenylmethoxypyrimidin-2-amine has a molecular weight of 299.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-phenylmethoxypyrimidin-2-amine is sourced from PubChem (CID 46228092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).