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

C21H18FN5O — CID 109352217

IUPACN-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NCCc2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C21H18FN5O/c22-15-5-7-16(8-6-15)27-21(28)19-11-20(26-13-25-19)23-10-9-14-12-24-18-4-2-1-3-17(14)18/h1-8,11-13,24H,9-10H2,(H,27,28)(H,23,25,26)
InChIKeyLRZHEYIFJRREEP-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.00
Rot. Bonds6

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

N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109352217) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109352217
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC NameN-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NCCc2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C21H18FN5O/c22-15-5-7-16(8-6-15)27-21(28)19-11-20(26-13-25-19)23-10-9-14-12-24-18-4-2-1-3-17(14)18/h1-8,11-13,24H,9-10H2,(H,27,28)(H,23,25,26)
InChIKeyLRZHEYIFJRREEP-UHFFFAOYSA-N
XLogP4.00
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109352226
N-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 166596732
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
N-cyclohexyl-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342013
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859722
N-(4-fluorophenyl)-5-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109237714
N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353538
N-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109189607
4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862383
4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide
CID 113043194
N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159728
6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109348543

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide (CID 109352217) is N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(NCCc2c[nH]c3ccccc23)ncn1.
What is the InChIKey of N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is LRZHEYIFJRREEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c22-15-5-7-16(8-6-15)27-21(28)19-11-20(26-13-25-19)23-10-9-14-12-24-18-4-2-1-3-17(14)18/h1-8,11-13,24H,9-10H2,(H,27,28)(H,23,25,26).
What are the key properties of N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109352217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).