N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine

C16H15N5 — CID 178038423

IUPACN-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESc1ccc2c(c1)CC(Nc1ncc(-c3cn[nH]c3)cn1)C2
InChIInChI=1S/C16H15N5/c1-2-4-12-6-15(5-11(12)3-1)21-16-17-7-13(8-18-16)14-9-19-20-10-14/h1-4,7-10,15H,5-6H2,(H,19,20)(H,17,18,21)
InChIKeyCDAKIKWSUFAMCP-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.45
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine

N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine (PubChem CID 178038423) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine
PubChem CID178038423
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESc1ccc2c(c1)CC(Nc1ncc(-c3cn[nH]c3)cn1)C2
InChIInChI=1S/C16H15N5/c1-2-4-12-6-15(5-11(12)3-1)21-16-17-7-13(8-18-16)14-9-19-20-10-14/h1-4,7-10,15H,5-6H2,(H,19,20)(H,17,18,21)
InChIKeyCDAKIKWSUFAMCP-UHFFFAOYSA-N
XLogP2.45
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine (CID 178038423) is N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine is c1ccc2c(c1)CC(Nc1ncc(-c3cn[nH]c3)cn1)C2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is CDAKIKWSUFAMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-2-4-12-6-15(5-11(12)3-1)21-16-17-7-13(8-18-16)14-9-19-20-10-14/h1-4,7-10,15H,5-6H2,(H,19,20)(H,17,18,21).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine?
N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 277.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 178038423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).