2-amino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide

C16H17N5O — CID 90680604

IUPAC2-amino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1cnc(N)nc1
InChIInChI=1S/C16H17N5O/c1-11-8-12-4-2-3-5-14(12)21(11)7-6-18-15(22)13-9-19-16(17)20-10-13/h2-5,8-10H,6-7H2,1H3,(H,18,22)(H2,17,19,20)
InChIKeyNWZYRVJEWQLBPD-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide

2-amino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 90680604) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID90680604
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-amino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1cnc(N)nc1
InChIInChI=1S/C16H17N5O/c1-11-8-12-4-2-3-5-14(12)21(11)7-6-18-15(22)13-9-19-16(17)20-10-13/h2-5,8-10H,6-7H2,1H3,(H,18,22)(H2,17,19,20)
InChIKeyNWZYRVJEWQLBPD-UHFFFAOYSA-N
XLogP1.75
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide (CID 90680604) is 2-amino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide is Cc1cc2ccccc2n1CCNC(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is NWZYRVJEWQLBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11-8-12-4-2-3-5-14(12)21(11)7-6-18-15(22)13-9-19-16(17)20-10-13/h2-5,8-10H,6-7H2,1H3,(H,18,22)(H2,17,19,20).
What are the key properties of 2-amino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide?
2-amino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 90680604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).