5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

C20H26N4O — CID 99943881

IUPAC5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCN(Cc1cnc(NC[C@H]2CCCO2)nc1)C1Cc2ccccc2C1
InChIInChI=1S/C20H26N4O/c1-24(18-9-16-5-2-3-6-17(16)10-18)14-15-11-21-20(22-12-15)23-13-19-7-4-8-25-19/h2-3,5-6,11-12,18-19H,4,7-10,13-14H2,1H3,(H,21,22,23)/t19-/m1/s1
InChIKeySKZWWZGOAGQIFX-LJQANCHMSA-N
MW338.46 g/mol
LogP2.67
Rot. Bonds6

About 5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (PubChem CID 99943881) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
PubChem CID99943881
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCN(Cc1cnc(NC[C@H]2CCCO2)nc1)C1Cc2ccccc2C1
InChIInChI=1S/C20H26N4O/c1-24(18-9-16-5-2-3-6-17(16)10-18)14-15-11-21-20(22-12-15)23-13-19-7-4-8-25-19/h2-3,5-6,11-12,18-19H,4,7-10,13-14H2,1H3,(H,21,22,23)/t19-/m1/s1
InChIKeySKZWWZGOAGQIFX-LJQANCHMSA-N
XLogP2.67
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99936239
5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124679926
5-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99954992
5-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99937942
5-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99937943
5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 77096682
5-[[methyl(pyrazin-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 77083663
5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99930888
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252576
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine
CID 63208579
5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 61145596
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326

Frequently Asked Questions

What is the IUPAC name of 5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (CID 99943881) is 5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is CN(Cc1cnc(NC[C@H]2CCCO2)nc1)C1Cc2ccccc2C1.
What is the InChIKey of 5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is SKZWWZGOAGQIFX-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N4O/c1-24(18-9-16-5-2-3-6-17(16)10-18)14-15-11-21-20(22-12-15)23-13-19-7-4-8-25-19/h2-3,5-6,11-12,18-19H,4,7-10,13-14H2,1H3,(H,21,22,23)/t19-/m1/s1.
What are the key properties of 5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 338.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 99943881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).