4-(1-methylindol-3-yl)-5-pyrimidin-5-ylpyrimidin-2-amine

C17H14N6 — CID 45269116

IUPAC4-(1-methylindol-3-yl)-5-pyrimidin-5-ylpyrimidin-2-amine
SMILESCn1cc(-c2nc(N)ncc2-c2cncnc2)c2ccccc21
InChIInChI=1S/C17H14N6/c1-23-9-14(12-4-2-3-5-15(12)23)16-13(8-21-17(18)22-16)11-6-19-10-20-7-11/h2-10H,1H3,(H2,18,21,22)
InChIKeyANVSLTNBCKBMMB-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.67
Rot. Bonds2

About 4-(1-methylindol-3-yl)-5-pyrimidin-5-ylpyrimidin-2-amine

4-(1-methylindol-3-yl)-5-pyrimidin-5-ylpyrimidin-2-amine (PubChem CID 45269116) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-(1-methylindol-3-yl)-5-pyrimidin-5-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-methylindol-3-yl)-5-pyrimidin-5-ylpyrimidin-2-amine
PubChem CID45269116
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name4-(1-methylindol-3-yl)-5-pyrimidin-5-ylpyrimidin-2-amine
SMILESCn1cc(-c2nc(N)ncc2-c2cncnc2)c2ccccc21
InChIInChI=1S/C17H14N6/c1-23-9-14(12-4-2-3-5-15(12)23)16-13(8-21-17(18)22-16)11-6-19-10-20-7-11/h2-10H,1H3,(H2,18,21,22)
InChIKeyANVSLTNBCKBMMB-UHFFFAOYSA-N
XLogP2.67
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-3-yl)-5-pyrimidin-5-ylpyrimidin-2-amine?
The IUPAC name of 4-(1-methylindol-3-yl)-5-pyrimidin-5-ylpyrimidin-2-amine (CID 45269116) is 4-(1-methylindol-3-yl)-5-pyrimidin-5-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(1-methylindol-3-yl)-5-pyrimidin-5-ylpyrimidin-2-amine?
The canonical SMILES for 4-(1-methylindol-3-yl)-5-pyrimidin-5-ylpyrimidin-2-amine is Cn1cc(-c2nc(N)ncc2-c2cncnc2)c2ccccc21.
What is the InChIKey of 4-(1-methylindol-3-yl)-5-pyrimidin-5-ylpyrimidin-2-amine?
The InChIKey is ANVSLTNBCKBMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-23-9-14(12-4-2-3-5-15(12)23)16-13(8-21-17(18)22-16)11-6-19-10-20-7-11/h2-10H,1H3,(H2,18,21,22).
What are the key properties of 4-(1-methylindol-3-yl)-5-pyrimidin-5-ylpyrimidin-2-amine?
4-(1-methylindol-3-yl)-5-pyrimidin-5-ylpyrimidin-2-amine has a molecular weight of 302.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-3-yl)-5-pyrimidin-5-ylpyrimidin-2-amine is sourced from PubChem (CID 45269116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).