2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine

C13H19N5 — CID 80857923

IUPAC2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(-n2ccc(C)n2)c1C
InChIInChI=1S/C13H19N5/c1-5-7-14-12-10(3)13(16-11(4)15-12)18-8-6-9(2)17-18/h6,8H,5,7H2,1-4H3,(H,14,15,16)
InChIKeyGXXQCEGTFUTRPF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.41
Rot. Bonds4

About 2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine

2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine (PubChem CID 80857923) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine
PubChem CID80857923
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(-n2ccc(C)n2)c1C
InChIInChI=1S/C13H19N5/c1-5-7-14-12-10(3)13(16-11(4)15-12)18-8-6-9(2)17-18/h6,8H,5,7H2,1-4H3,(H,14,15,16)
InChIKeyGXXQCEGTFUTRPF-UHFFFAOYSA-N
XLogP2.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine
CID 102760287
6-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80852866
1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674594
2,5-dimethyl-6-morpholin-4-yl-N-propylpyrimidin-4-amine
CID 80767316
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
6-(3,3-dimethylpyrrolidin-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80854736
2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80836387
5-(3-methylpyrazol-1-yl)-N-propylpyridin-3-amine
CID 104535962
1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide
CID 80868258
6-(2,5-dimethylpyrazol-3-yl)oxy-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 81346792
6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80988536
6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 83025046

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine (CID 80857923) is 2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(C)nc(-n2ccc(C)n2)c1C.
What is the InChIKey of 2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine?
The InChIKey is GXXQCEGTFUTRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-5-7-14-12-10(3)13(16-11(4)15-12)18-8-6-9(2)17-18/h6,8H,5,7H2,1-4H3,(H,14,15,16).
What are the key properties of 2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine?
2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80857923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).