4-(1H-indol-4-yl)pyrimidin-2-amine

C12H10N4 — CID 24957719

IUPAC4-(1H-indol-4-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2cccc3[nH]ccc23)n1
InChIInChI=1S/C12H10N4/c13-12-15-7-5-11(16-12)8-2-1-3-10-9(8)4-6-14-10/h1-7,14H,(H2,13,15,16)
InChIKeySOMSLGFCCLCRAP-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.21
Rot. Bonds1

About 4-(1H-indol-4-yl)pyrimidin-2-amine

4-(1H-indol-4-yl)pyrimidin-2-amine (PubChem CID 24957719) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(1H-indol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-indol-4-yl)pyrimidin-2-amine
PubChem CID24957719
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name4-(1H-indol-4-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2cccc3[nH]ccc23)n1
InChIInChI=1S/C12H10N4/c13-12-15-7-5-11(16-12)8-2-1-3-10-9(8)4-6-14-10/h1-7,14H,(H2,13,15,16)
InChIKeySOMSLGFCCLCRAP-UHFFFAOYSA-N
XLogP2.21
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1H-indol-4-yl)pyrimidin-2-amine (CID 24957719) is 4-(1H-indol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-indol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1H-indol-4-yl)pyrimidin-2-amine is Nc1nccc(-c2cccc3[nH]ccc23)n1.
What is the InChIKey of 4-(1H-indol-4-yl)pyrimidin-2-amine?
The InChIKey is SOMSLGFCCLCRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-12-15-7-5-11(16-12)8-2-1-3-10-9(8)4-6-14-10/h1-7,14H,(H2,13,15,16).
What are the key properties of 4-(1H-indol-4-yl)pyrimidin-2-amine?
4-(1H-indol-4-yl)pyrimidin-2-amine has a molecular weight of 210.24 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 24957719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).