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

C18H21N5O — CID 72932550

IUPAC2-(ethylamino)-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCn2c(C)cc3ccccc32)cn1
InChIInChI=1S/C18H21N5O/c1-3-19-18-21-11-15(12-22-18)17(24)20-8-9-23-13(2)10-14-6-4-5-7-16(14)23/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeyFAHUHZWWXMKYJU-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.60
Rot. Bonds6

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

2-(ethylamino)-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 72932550) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID72932550
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-(ethylamino)-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCn2c(C)cc3ccccc32)cn1
InChIInChI=1S/C18H21N5O/c1-3-19-18-21-11-15(12-22-18)17(24)20-8-9-23-13(2)10-14-6-4-5-7-16(14)23/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeyFAHUHZWWXMKYJU-UHFFFAOYSA-N
XLogP2.60
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide (CID 72932550) is 2-(ethylamino)-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NCCn2c(C)cc3ccccc32)cn1.
What is the InChIKey of 2-(ethylamino)-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is FAHUHZWWXMKYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-19-18-21-11-15(12-22-18)17(24)20-8-9-23-13(2)10-14-6-4-5-7-16(14)23/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,24)(H,19,21,22).
What are the key properties of 2-(ethylamino)-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72932550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).