N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine

C12H20FN5 — CID 113234222

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NCC2CN(C)CCN2C)c1F
InChIInChI=1S/C12H20FN5/c1-9-11(13)12(16-8-15-9)14-6-10-7-17(2)4-5-18(10)3/h8,10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyHIEZCBSRRUZBCH-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.58
Rot. Bonds3

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 113234222) has the molecular formula C12H20FN5 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID113234222
Molecular FormulaC12H20FN5
Molecular Weight253.32 g/mol
Exact Mass253.17
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NCC2CN(C)CCN2C)c1F
InChIInChI=1S/C12H20FN5/c1-9-11(13)12(16-8-15-9)14-6-10-7-17(2)4-5-18(10)3/h8,10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyHIEZCBSRRUZBCH-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine (CID 113234222) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine is Cc1ncnc(NCC2CN(C)CCN2C)c1F.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is HIEZCBSRRUZBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5/c1-9-11(13)12(16-8-15-9)14-6-10-7-17(2)4-5-18(10)3/h8,10H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 253.32 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 113234222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).