4-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C16H21N5O — CID 25129526

IUPAC4-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCOc1ccccc1-c1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C16H21N5O/c1-20-7-9-21(10-8-20)15-11-13(18-16(17)19-15)12-5-3-4-6-14(12)22-2/h3-6,11H,7-10H2,1-2H3,(H2,17,18,19)
InChIKeyGYMVKMZPCRNXCZ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.49
Rot. Bonds3

About 4-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 25129526) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID25129526
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCOc1ccccc1-c1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C16H21N5O/c1-20-7-9-21(10-8-20)15-11-13(18-16(17)19-15)12-5-3-4-6-14(12)22-2/h3-6,11H,7-10H2,1-2H3,(H2,17,18,19)
InChIKeyGYMVKMZPCRNXCZ-UHFFFAOYSA-N
XLogP1.49
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 25129526) is 4-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is COc1ccccc1-c1cc(N2CCN(C)CC2)nc(N)n1.
What is the InChIKey of 4-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is GYMVKMZPCRNXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20-7-9-21(10-8-20)15-11-13(18-16(17)19-15)12-5-3-4-6-14(12)22-2/h3-6,11H,7-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 299.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 25129526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).