1-[5-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-methylmethanamine

C12H20FN5 — CID 138491876

IUPAC1-[5-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1nc(C)nc(N2CCN(C)CC2)c1F
InChIInChI=1S/C12H20FN5/c1-9-15-10(8-14-2)11(13)12(16-9)18-6-4-17(3)5-7-18/h14H,4-8H2,1-3H3
InChIKeyHSRMIAZDNBXXFW-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.40
Rot. Bonds3

About 1-[5-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-methylmethanamine

1-[5-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-methylmethanamine (PubChem CID 138491876) has the molecular formula C12H20FN5 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[5-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-methylmethanamine
PubChem CID138491876
Molecular FormulaC12H20FN5
Molecular Weight253.32 g/mol
Exact Mass253.17
IUPAC Name1-[5-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1nc(C)nc(N2CCN(C)CC2)c1F
InChIInChI=1S/C12H20FN5/c1-9-15-10(8-14-2)11(13)12(16-9)18-6-4-17(3)5-7-18/h14H,4-8H2,1-3H3
InChIKeyHSRMIAZDNBXXFW-UHFFFAOYSA-N
XLogP0.40
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-methylmethanamine (CID 138491876) is 1-[5-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-methylmethanamine is CNCc1nc(C)nc(N2CCN(C)CC2)c1F.
What is the InChIKey of 1-[5-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-methylmethanamine?
The InChIKey is HSRMIAZDNBXXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5/c1-9-15-10(8-14-2)11(13)12(16-9)18-6-4-17(3)5-7-18/h14H,4-8H2,1-3H3.
What are the key properties of 1-[5-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-methylmethanamine?
1-[5-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-methylmethanamine has a molecular weight of 253.32 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 138491876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).