4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine

C20H25N5 — CID 118741337

IUPAC4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
SMILESCc1[nH]c2ccccc2c1-c1ccnc(NCCN2CCCCC2)n1
InChIInChI=1S/C20H25N5/c1-15-19(16-7-3-4-8-17(16)23-15)18-9-10-21-20(24-18)22-11-14-25-12-5-2-6-13-25/h3-4,7-10,23H,2,5-6,11-14H2,1H3,(H,21,22,24)
InChIKeyWXCRUYPWNWDVCN-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.83
Rot. Bonds5

About 4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine

4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine (PubChem CID 118741337) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
PubChem CID118741337
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
SMILESCc1[nH]c2ccccc2c1-c1ccnc(NCCN2CCCCC2)n1
InChIInChI=1S/C20H25N5/c1-15-19(16-7-3-4-8-17(16)23-15)18-9-10-21-20(24-18)22-11-14-25-12-5-2-6-13-25/h3-4,7-10,23H,2,5-6,11-14H2,1H3,(H,21,22,24)
InChIKeyWXCRUYPWNWDVCN-UHFFFAOYSA-N
XLogP3.83
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine (CID 118741337) is 4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine is Cc1[nH]c2ccccc2c1-c1ccnc(NCCN2CCCCC2)n1.
What is the InChIKey of 4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine?
The InChIKey is WXCRUYPWNWDVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-15-19(16-7-3-4-8-17(16)23-15)18-9-10-21-20(24-18)22-11-14-25-12-5-2-6-13-25/h3-4,7-10,23H,2,5-6,11-14H2,1H3,(H,21,22,24).
What are the key properties of 4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine?
4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine has a molecular weight of 335.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 118741337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).