N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine

C13H23N5 — CID 63899169

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCC2CN(C)CCN2C)n1
InChIInChI=1S/C13H23N5/c1-10-7-11(2)16-13(15-10)14-8-12-9-17(3)5-6-18(12)4/h7,12H,5-6,8-9H2,1-4H3,(H,14,15,16)
InChIKeyRJBYEZZLMZMQPX-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.75
Rot. Bonds3

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

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 63899169) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID63899169
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCC2CN(C)CCN2C)n1
InChIInChI=1S/C13H23N5/c1-10-7-11(2)16-13(15-10)14-8-12-9-17(3)5-6-18(12)4/h7,12H,5-6,8-9H2,1-4H3,(H,14,15,16)
InChIKeyRJBYEZZLMZMQPX-UHFFFAOYSA-N
XLogP0.75
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.75
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]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine (CID 63899169) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NCC2CN(C)CCN2C)n1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is RJBYEZZLMZMQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10-7-11(2)16-13(15-10)14-8-12-9-17(3)5-6-18(12)4/h7,12H,5-6,8-9H2,1-4H3,(H,14,15,16).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 0.75, 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]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 63899169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).