2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone

C19H18N4O2 — CID 109367986

IUPAC2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
SMILESCc1nc(NCc2ccco2)cc(C(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C19H18N4O2/c1-13-21-16(11-18(22-13)20-12-15-6-4-10-25-15)19(24)23-9-8-14-5-2-3-7-17(14)23/h2-7,10-11H,8-9,12H2,1H3,(H,20,21,22)
InChIKeyBZPXHDIMGOOVFT-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.19
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone

2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone (PubChem CID 109367986) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
PubChem CID109367986
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
SMILESCc1nc(NCc2ccco2)cc(C(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C19H18N4O2/c1-13-21-16(11-18(22-13)20-12-15-6-4-10-25-15)19(24)23-9-8-14-5-2-3-7-17(14)23/h2-7,10-11H,8-9,12H2,1H3,(H,20,21,22)
InChIKeyBZPXHDIMGOOVFT-UHFFFAOYSA-N
XLogP3.19
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[2-methyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109371243
2,3-dihydroindol-1-yl-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209514
2,3-dihydroindol-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109255112
(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
CID 109367950
3,4-dihydro-2H-quinolin-1-yl-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109369586
6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109367985
3,4-dihydro-2H-quinolin-1-yl-[6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109370230
6-(furan-2-ylmethylamino)-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109368044
2,3-dihydroindol-1-yl-[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 112848714
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 112848726
2,3-dihydroindol-1-yl-[6-[4-(dimethylamino)anilino]-2-methylpyrimidin-4-yl]methanone
CID 112848751
3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109365746

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone (CID 109367986) is 2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone is Cc1nc(NCc2ccco2)cc(C(=O)N2CCc3ccccc32)n1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone?
The InChIKey is BZPXHDIMGOOVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-21-16(11-18(22-13)20-12-15-6-4-10-25-15)19(24)23-9-8-14-5-2-3-7-17(14)23/h2-7,10-11H,8-9,12H2,1H3,(H,20,21,22).
What are the key properties of 2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone has a molecular weight of 334.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone is sourced from PubChem (CID 109367986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).