6-cyclopropyl-5-(1-methylindol-3-yl)pyrimidine-2,4-diamine

C16H17N5 — CID 134156833

IUPAC6-cyclopropyl-5-(1-methylindol-3-yl)pyrimidine-2,4-diamine
SMILESCn1cc(-c2c(N)nc(N)nc2C2CC2)c2ccccc21
InChIInChI=1S/C16H17N5/c1-21-8-11(10-4-2-3-5-12(10)21)13-14(9-6-7-9)19-16(18)20-15(13)17/h2-5,8-9H,6-7H2,1H3,(H4,17,18,19,20)
InChIKeyYXHFJTDWWPFAGS-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.68
Rot. Bonds2

About 6-cyclopropyl-5-(1-methylindol-3-yl)pyrimidine-2,4-diamine

6-cyclopropyl-5-(1-methylindol-3-yl)pyrimidine-2,4-diamine (PubChem CID 134156833) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 6-cyclopropyl-5-(1-methylindol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-cyclopropyl-5-(1-methylindol-3-yl)pyrimidine-2,4-diamine
PubChem CID134156833
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name6-cyclopropyl-5-(1-methylindol-3-yl)pyrimidine-2,4-diamine
SMILESCn1cc(-c2c(N)nc(N)nc2C2CC2)c2ccccc21
InChIInChI=1S/C16H17N5/c1-21-8-11(10-4-2-3-5-12(10)21)13-14(9-6-7-9)19-16(18)20-15(13)17/h2-5,8-9H,6-7H2,1H3,(H4,17,18,19,20)
InChIKeyYXHFJTDWWPFAGS-UHFFFAOYSA-N
XLogP2.68
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-5-(1-methylindol-3-yl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-(1-methylindol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-cyclopropyl-5-(1-methylindol-3-yl)pyrimidine-2,4-diamine (CID 134156833) is 6-cyclopropyl-5-(1-methylindol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-cyclopropyl-5-(1-methylindol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-cyclopropyl-5-(1-methylindol-3-yl)pyrimidine-2,4-diamine is Cn1cc(-c2c(N)nc(N)nc2C2CC2)c2ccccc21.
What is the InChIKey of 6-cyclopropyl-5-(1-methylindol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is YXHFJTDWWPFAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-21-8-11(10-4-2-3-5-12(10)21)13-14(9-6-7-9)19-16(18)20-15(13)17/h2-5,8-9H,6-7H2,1H3,(H4,17,18,19,20).
What are the key properties of 6-cyclopropyl-5-(1-methylindol-3-yl)pyrimidine-2,4-diamine?
6-cyclopropyl-5-(1-methylindol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 279.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-(1-methylindol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 134156833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).