4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine

C13H19N5 — CID 82699423

IUPAC4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine
SMILESCCc1cc(CC)n(-c2nc(NC)ncc2C)n1
InChIInChI=1S/C13H19N5/c1-5-10-7-11(6-2)18(17-10)12-9(3)8-15-13(14-4)16-12/h7-8H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyPUXNNIUYNMIDFN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.14
Rot. Bonds4

About 4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine

4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine (PubChem CID 82699423) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine
PubChem CID82699423
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine
SMILESCCc1cc(CC)n(-c2nc(NC)ncc2C)n1
InChIInChI=1S/C13H19N5/c1-5-10-7-11(6-2)18(17-10)12-9(3)8-15-13(14-4)16-12/h7-8H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyPUXNNIUYNMIDFN-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 82699570
5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine
CID 82699718
6-(3,5-diethylpyrazol-1-yl)-5-methylpyridine-3-carbaldehyde
CID 82694898
6-(3,5-diethylpyrazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 82698482
4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 82698976
3,5-dichloro-2-(3,5-diethylpyrazol-1-yl)pyridine
CID 82698804
2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline
CID 82698966
N,5-dimethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-amine
CID 80825366
5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine
CID 80867774
4-(4-ethoxypyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine
CID 114274053
N-ethyl-5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine
CID 80857593
4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine
CID 80793194

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine (CID 82699423) is 4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine is CCc1cc(CC)n(-c2nc(NC)ncc2C)n1.
What is the InChIKey of 4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine?
The InChIKey is PUXNNIUYNMIDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-5-10-7-11(6-2)18(17-10)12-9(3)8-15-13(14-4)16-12/h7-8H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of 4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine?
4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 82699423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).