N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine

C24H22N4O — CID 112936856

IUPACN-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine
SMILESCC1Cc2ccccc2N1c1cc(-c2ccccc2)nc(NCc2ccco2)n1
InChIInChI=1S/C24H22N4O/c1-17-14-19-10-5-6-12-22(19)28(17)23-15-21(18-8-3-2-4-9-18)26-24(27-23)25-16-20-11-7-13-29-20/h2-13,15,17H,14,16H2,1H3,(H,25,26,27)
InChIKeyKHQLITZIPQCKRV-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.43
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine

N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine (PubChem CID 112936856) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine
PubChem CID112936856
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine
SMILESCC1Cc2ccccc2N1c1cc(-c2ccccc2)nc(NCc2ccco2)n1
InChIInChI=1S/C24H22N4O/c1-17-14-19-10-5-6-12-22(19)28(17)23-15-21(18-8-3-2-4-9-18)26-24(27-23)25-16-20-11-7-13-29-20/h2-13,15,17H,14,16H2,1H3,(H,25,26,27)
InChIKeyKHQLITZIPQCKRV-UHFFFAOYSA-N
XLogP5.43
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
CID 112933523
N-(3-methoxypropyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine
CID 112935351
4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine
CID 112936430
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112920011
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932522
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-propylpyrimidin-2-amine
CID 80756884
2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933719
4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889950
N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109209427
2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936163
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932798
4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936076

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine (CID 112936856) is N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine is CC1Cc2ccccc2N1c1cc(-c2ccccc2)nc(NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine?
The InChIKey is KHQLITZIPQCKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-17-14-19-10-5-6-12-22(19)28(17)23-15-21(18-8-3-2-4-9-18)26-24(27-23)25-16-20-11-7-13-29-20/h2-13,15,17H,14,16H2,1H3,(H,25,26,27).
What are the key properties of N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine?
N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine has a molecular weight of 382.47 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 112936856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).