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

C21H27N5O — CID 109331592

IUPAC2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)nc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C21H27N5O/c1-14(2)8-10-22-20(27)19-12-15(3)25-21(26-19)23-11-9-16-13-24-18-7-5-4-6-17(16)18/h4-7,12-14,24H,8-11H2,1-3H3,(H,22,27)(H,23,25,26)
InChIKeyQALGFBZDGPQKEA-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.70
Rot. Bonds8

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

2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 109331592) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID109331592
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)nc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C21H27N5O/c1-14(2)8-10-22-20(27)19-12-15(3)25-21(26-19)23-11-9-16-13-24-18-7-5-4-6-17(16)18/h4-7,12-14,24H,8-11H2,1-3H3,(H,22,27)(H,23,25,26)
InChIKeyQALGFBZDGPQKEA-UHFFFAOYSA-N
XLogP3.70
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321035
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320846
2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112922446
2-[2-(2-methoxyphenyl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109330925
2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331647
2-(2,3-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331642
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109328905
N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109320680
2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332607
N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrazine-2-carboxamide
CID 146080613
N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109301265
6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327701

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 109331592) is 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCC(C)C)nc(NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is QALGFBZDGPQKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14(2)8-10-22-20(27)19-12-15(3)25-21(26-19)23-11-9-16-13-24-18-7-5-4-6-17(16)18/h4-7,12-14,24H,8-11H2,1-3H3,(H,22,27)(H,23,25,26).
What are the key properties of 2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.70, 8 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-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109331592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).