4-N-cyclopropyl-6-(1H-indol-4-yl)pyrimidine-2,4-diamine

C15H15N5 — CID 90189444

IUPAC4-N-cyclopropyl-6-(1H-indol-4-yl)pyrimidine-2,4-diamine
SMILESNc1nc(NC2CC2)cc(-c2cccc3[nH]ccc23)n1
InChIInChI=1S/C15H15N5/c16-15-19-13(8-14(20-15)18-9-4-5-9)10-2-1-3-12-11(10)6-7-17-12/h1-3,6-9,17H,4-5H2,(H3,16,18,19,20)
InChIKeyVDZGROXCSZIIFR-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.78
Rot. Bonds3

About 4-N-cyclopropyl-6-(1H-indol-4-yl)pyrimidine-2,4-diamine

4-N-cyclopropyl-6-(1H-indol-4-yl)pyrimidine-2,4-diamine (PubChem CID 90189444) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-(1H-indol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-(1H-indol-4-yl)pyrimidine-2,4-diamine
PubChem CID90189444
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name4-N-cyclopropyl-6-(1H-indol-4-yl)pyrimidine-2,4-diamine
SMILESNc1nc(NC2CC2)cc(-c2cccc3[nH]ccc23)n1
InChIInChI=1S/C15H15N5/c16-15-19-13(8-14(20-15)18-9-4-5-9)10-2-1-3-12-11(10)6-7-17-12/h1-3,6-9,17H,4-5H2,(H3,16,18,19,20)
InChIKeyVDZGROXCSZIIFR-UHFFFAOYSA-N
XLogP2.78
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-(1H-indol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-(1H-indol-4-yl)pyrimidine-2,4-diamine (CID 90189444) is 4-N-cyclopropyl-6-(1H-indol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-(1H-indol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-(1H-indol-4-yl)pyrimidine-2,4-diamine is Nc1nc(NC2CC2)cc(-c2cccc3[nH]ccc23)n1.
What is the InChIKey of 4-N-cyclopropyl-6-(1H-indol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is VDZGROXCSZIIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c16-15-19-13(8-14(20-15)18-9-4-5-9)10-2-1-3-12-11(10)6-7-17-12/h1-3,6-9,17H,4-5H2,(H3,16,18,19,20).
What are the key properties of 4-N-cyclopropyl-6-(1H-indol-4-yl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-6-(1H-indol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 265.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-(1H-indol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 90189444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).