4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C16H20ClN5O — CID 74249552

IUPAC4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCOc1ccc(Cl)cc1-c1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C16H20ClN5O/c1-21-5-7-22(8-6-21)15-10-13(19-16(18)20-15)12-9-11(17)3-4-14(12)23-2/h3-4,9-10H,5-8H2,1-2H3,(H2,18,19,20)
InChIKeyQFGGTKNMXGUHDH-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.14
Rot. Bonds3

About 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 74249552) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID74249552
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCOc1ccc(Cl)cc1-c1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C16H20ClN5O/c1-21-5-7-22(8-6-21)15-10-13(19-16(18)20-15)12-9-11(17)3-4-14(12)23-2/h3-4,9-10H,5-8H2,1-2H3,(H2,18,19,20)
InChIKeyQFGGTKNMXGUHDH-UHFFFAOYSA-N
XLogP2.14
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 74249552) is 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is COc1ccc(Cl)cc1-c1cc(N2CCN(C)CC2)nc(N)n1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is QFGGTKNMXGUHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-21-5-7-22(8-6-21)15-10-13(19-16(18)20-15)12-9-11(17)3-4-14(12)23-2/h3-4,9-10H,5-8H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 333.82 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 74249552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).