N,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine

C13H23N5 — CID 114541822

IUPACN,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCNc1ncnc(N2CC(C)N(C)C(C)C2)c1C
InChIInChI=1S/C13H23N5/c1-9-6-18(7-10(2)17(9)5)13-11(3)12(14-4)15-8-16-13/h8-10H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyAIDRZKPYBYBNHH-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.36
Rot. Bonds2

About N,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine

N,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 114541822) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID114541822
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCNc1ncnc(N2CC(C)N(C)C(C)C2)c1C
InChIInChI=1S/C13H23N5/c1-9-6-18(7-10(2)17(9)5)13-11(3)12(14-4)15-8-16-13/h8-10H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyAIDRZKPYBYBNHH-UHFFFAOYSA-N
XLogP1.36
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine
CID 104961748
N,5-dimethyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine
CID 80817219
6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80833774
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-yl]hydrazine
CID 104961881
N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80795778
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5-dimethylpyrimidin-4-amine
CID 80767214
2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 80806727
N,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 80830675
N,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 80854317
4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine
CID 114543048
6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
CID 80803944
N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322506

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine (CID 114541822) is N,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine is CNc1ncnc(N2CC(C)N(C)C(C)C2)c1C.
What is the InChIKey of N,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is AIDRZKPYBYBNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-9-6-18(7-10(2)17(9)5)13-11(3)12(14-4)15-8-16-13/h8-10H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of N,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
N,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 114541822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).