N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine

C20H20N4O — CID 74237336

IUPACN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine
SMILESCOc1cc2c(cc1CNc1nccc(-c3ccncc3)n1)CCC2
InChIInChI=1S/C20H20N4O/c1-25-19-12-16-4-2-3-15(16)11-17(19)13-23-20-22-10-7-18(24-20)14-5-8-21-9-6-14/h5-12H,2-4,13H2,1H3,(H,22,23,24)
InChIKeyVKIZZARJJWQEIN-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.65
Rot. Bonds5

About N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine

N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine (PubChem CID 74237336) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine
PubChem CID74237336
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine
SMILESCOc1cc2c(cc1CNc1nccc(-c3ccncc3)n1)CCC2
InChIInChI=1S/C20H20N4O/c1-25-19-12-16-4-2-3-15(16)11-17(19)13-23-20-22-10-7-18(24-20)14-5-8-21-9-6-14/h5-12H,2-4,13H2,1H3,(H,22,23,24)
InChIKeyVKIZZARJJWQEIN-UHFFFAOYSA-N
XLogP3.65
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine with MolForge

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Related Compounds

N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine
CID 135098698
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine
CID 157014952
4-(1,3-benzodioxol-5-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 171989236
4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 157146775
N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 103278920
N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)pyrimidin-2-amine
CID 46172980
[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine
CID 116904113
N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine
CID 116900518
4-(2-methoxy-4-pyridinyl)-N-pyridin-4-ylpyrimidin-2-amine
CID 170970558
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125178474
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112891558
[6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135116818

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine (CID 74237336) is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine is COc1cc2c(cc1CNc1nccc(-c3ccncc3)n1)CCC2.
What is the InChIKey of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is VKIZZARJJWQEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-25-19-12-16-4-2-3-15(16)11-17(19)13-23-20-22-10-7-18(24-20)14-5-8-21-9-6-14/h5-12H,2-4,13H2,1H3,(H,22,23,24).
What are the key properties of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine?
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 332.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 74237336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).