N-[(3-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine

C22H19FN4O — CID 155068287

IUPACN-[(3-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine
SMILESCc1[nH]c2ccccc2c1-c1nc(NCc2cccc(F)c2)c2c(n1)OCC2
InChIInChI=1S/C22H19FN4O/c1-13-19(16-7-2-3-8-18(16)25-13)21-26-20(17-9-10-28-22(17)27-21)24-12-14-5-4-6-15(23)11-14/h2-8,11,25H,9-10,12H2,1H3,(H,24,26,27)
InChIKeyXTQDWKMZBIZSEH-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.62
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine

N-[(3-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine (PubChem CID 155068287) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine
PubChem CID155068287
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine
SMILESCc1[nH]c2ccccc2c1-c1nc(NCc2cccc(F)c2)c2c(n1)OCC2
InChIInChI=1S/C22H19FN4O/c1-13-19(16-7-2-3-8-18(16)25-13)21-26-20(17-9-10-28-22(17)27-21)24-12-14-5-4-6-15(23)11-14/h2-8,11,25H,9-10,12H2,1H3,(H,24,26,27)
InChIKeyXTQDWKMZBIZSEH-UHFFFAOYSA-N
XLogP4.62
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-7-carboxamide
CID 118239478
3-[4-[(3-fluorophenyl)methylamino]-9-methyl-5,6,7,8-tetrahydropyrimido[4,5-b]azepin-2-yl]-2-methyl-1H-indole-7-carboxamide
CID 118239739
1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydrooxepino[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
CID 122685291
N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine
CID 69221219
2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 118240606
3-[4-(benzylamino)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-yl]-2-methyl-1H-indole-7-carboxamide
CID 118239647
1-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-2-benzothiophene-4-carboxamide
CID 122685222
N-[(3-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82564480
2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile
CID 115146393
2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170000713
3-[4-[(3-fluorophenyl)methylamino]-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 118240806
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547419

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine (CID 155068287) is N-[(3-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine is Cc1[nH]c2ccccc2c1-c1nc(NCc2cccc(F)c2)c2c(n1)OCC2.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine?
The InChIKey is XTQDWKMZBIZSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-13-19(16-7-2-3-8-18(16)25-13)21-26-20(17-9-10-28-22(17)27-21)24-12-14-5-4-6-15(23)11-14/h2-8,11,25H,9-10,12H2,1H3,(H,24,26,27).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine?
N-[(3-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine has a molecular weight of 374.42 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155068287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).