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

C14H20ClN5 — CID 82699718

IUPAC5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(-n2nc(CC)cc2CC)n1
InChIInChI=1S/C14H20ClN5/c1-4-7-16-14-17-9-12(15)13(18-14)20-11(6-3)8-10(5-2)19-20/h8-9H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyROIGLJOPMIBATK-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.26
Rot. Bonds6

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

5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 82699718) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine
PubChem CID82699718
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(-n2nc(CC)cc2CC)n1
InChIInChI=1S/C14H20ClN5/c1-4-7-16-14-17-9-12(15)13(18-14)20-11(6-3)8-10(5-2)19-20/h8-9H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyROIGLJOPMIBATK-UHFFFAOYSA-N
XLogP3.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.26
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
4-(3,5-diethylpyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine
CID 82699423
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
5-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80848714
5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine
CID 102746619
3,5-dichloro-2-(3,5-diethylpyrazol-1-yl)pyridine
CID 82698804
5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 103542000
5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797839
5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797010
5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80782441
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322483
6-(3,5-diethylpyrazol-1-yl)-N-propylpyridin-2-amine
CID 82699859

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine (CID 82699718) is 5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(-n2nc(CC)cc2CC)n1.
What is the InChIKey of 5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is ROIGLJOPMIBATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-4-7-16-14-17-9-12(15)13(18-14)20-11(6-3)8-10(5-2)19-20/h8-9H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of 5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine?
5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 293.80 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 82699718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).