6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine

C13H19N5 — CID 80853957

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(-n2nc(C)cc2C)c1C
InChIInChI=1S/C13H19N5/c1-6-14-12-10(4)13(16-11(5)15-12)18-9(3)7-8(2)17-18/h7H,6H2,1-5H3,(H,14,15,16)
InChIKeyKKJDOJFTXWQCEY-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.33
Rot. Bonds3

About 6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine

6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine (PubChem CID 80853957) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
PubChem CID80853957
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(-n2nc(C)cc2C)c1C
InChIInChI=1S/C13H19N5/c1-6-14-12-10(4)13(16-11(5)15-12)18-9(3)7-8(2)17-18/h7H,6H2,1-5H3,(H,14,15,16)
InChIKeyKKJDOJFTXWQCEY-UHFFFAOYSA-N
XLogP2.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80852866
4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80853428
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80992528
5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine
CID 25230632
1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80766566
6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80853452
N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80992607
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125
1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol
CID 80764591
2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine
CID 80857923
N-ethyl-2,5-dimethyl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-amine
CID 114597881
4-N-(2,4-dimethylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80763640

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine (CID 80853957) is 6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine is CCNc1nc(C)nc(-n2nc(C)cc2C)c1C.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The InChIKey is KKJDOJFTXWQCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-6-14-12-10(4)13(16-11(5)15-12)18-9(3)7-8(2)17-18/h7H,6H2,1-5H3,(H,14,15,16).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80853957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).