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

C15H17N5 — CID 80857647

IUPAC6-indazol-1-yl-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1-n1ncc2ccccc21
InChIInChI=1S/C15H17N5/c1-3-6-12-14(16-2)17-10-18-15(12)20-13-8-5-4-7-11(13)9-19-20/h4-5,7-10H,3,6H2,1-2H3,(H,16,17,18)
InChIKeyMFCKHFJDFIETEF-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.81
Rot. Bonds4

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

6-indazol-1-yl-N-methyl-5-propylpyrimidin-4-amine (PubChem CID 80857647) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 6-indazol-1-yl-N-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-indazol-1-yl-N-methyl-5-propylpyrimidin-4-amine
PubChem CID80857647
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name6-indazol-1-yl-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1-n1ncc2ccccc21
InChIInChI=1S/C15H17N5/c1-3-6-12-14(16-2)17-10-18-15(12)20-13-8-5-4-7-11(13)9-19-20/h4-5,7-10H,3,6H2,1-2H3,(H,16,17,18)
InChIKeyMFCKHFJDFIETEF-UHFFFAOYSA-N
XLogP2.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-indazol-1-yl-N-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-indazol-1-yl-N-methyl-5-propylpyrimidin-4-amine (CID 80857647) is 6-indazol-1-yl-N-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-indazol-1-yl-N-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-indazol-1-yl-N-methyl-5-propylpyrimidin-4-amine is CCCc1c(NC)ncnc1-n1ncc2ccccc21.
What is the InChIKey of 6-indazol-1-yl-N-methyl-5-propylpyrimidin-4-amine?
The InChIKey is MFCKHFJDFIETEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-6-12-14(16-2)17-10-18-15(12)20-13-8-5-4-7-11(13)9-19-20/h4-5,7-10H,3,6H2,1-2H3,(H,16,17,18).
What are the key properties of 6-indazol-1-yl-N-methyl-5-propylpyrimidin-4-amine?
6-indazol-1-yl-N-methyl-5-propylpyrimidin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-indazol-1-yl-N-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80857647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).