N-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine

C16H19N5 — CID 80841529

IUPACN-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1-n1ncc2ccccc21
InChIInChI=1S/C16H19N5/c1-3-7-13-15(17-4-2)18-11-19-16(13)21-14-9-6-5-8-12(14)10-20-21/h5-6,8-11H,3-4,7H2,1-2H3,(H,17,18,19)
InChIKeyCJFXUCYCZWRSRS-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.20
Rot. Bonds5

About N-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine

N-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine (PubChem CID 80841529) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine
PubChem CID80841529
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1-n1ncc2ccccc21
InChIInChI=1S/C16H19N5/c1-3-7-13-15(17-4-2)18-11-19-16(13)21-14-9-6-5-8-12(14)10-20-21/h5-6,8-11H,3-4,7H2,1-2H3,(H,17,18,19)
InChIKeyCJFXUCYCZWRSRS-UHFFFAOYSA-N
XLogP3.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine (CID 80841529) is N-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1-n1ncc2ccccc21.
What is the InChIKey of N-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine?
The InChIKey is CJFXUCYCZWRSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-3-7-13-15(17-4-2)18-11-19-16(13)21-14-9-6-5-8-12(14)10-20-21/h5-6,8-11H,3-4,7H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine?
N-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80841529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).