2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide

C20H25N5O — CID 109321035

IUPAC2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)C)nc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H25N5O/c1-13(2)11-23-19(26)18-10-14(3)24-20(25-18)21-9-8-15-12-22-17-7-5-4-6-16(15)17/h4-7,10,12-13,22H,8-9,11H2,1-3H3,(H,23,26)(H,21,24,25)
InChIKeyHQSOCNZJOCDEFO-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.31
Rot. Bonds7

About 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide

2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide (PubChem CID 109321035) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
PubChem CID109321035
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)C)nc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H25N5O/c1-13(2)11-23-19(26)18-10-14(3)24-20(25-18)21-9-8-15-12-22-17-7-5-4-6-16(15)17/h4-7,10,12-13,22H,8-9,11H2,1-3H3,(H,23,26)(H,21,24,25)
InChIKeyHQSOCNZJOCDEFO-UHFFFAOYSA-N
XLogP3.31
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320846
2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109331592
2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331647
2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112922446
2-(2,3-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331642
6-methyl-N-(2-methylpropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320796
6-[2-(1H-indol-3-yl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151886
2-[(2-fluorophenyl)methylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321011
(2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone
CID 109331595
2-[2-(2-methoxyphenyl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109330925
2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304866
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 110696129

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide (CID 109321035) is 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCC(C)C)nc(NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The InChIKey is HQSOCNZJOCDEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-13(2)11-23-19(26)18-10-14(3)24-20(25-18)21-9-8-15-12-22-17-7-5-4-6-16(15)17/h4-7,10,12-13,22H,8-9,11H2,1-3H3,(H,23,26)(H,21,24,25).
What are the key properties of 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide?
2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109321035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).