N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine

C15H18N4 — CID 105358167

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCc2ccc3c(c2)CNC3)nc(C)n1
InChIInChI=1S/C15H18N4/c1-10-5-15(19-11(2)18-10)17-7-12-3-4-13-8-16-9-14(13)6-12/h3-6,16H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyNVSVHLIYMJHPSM-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.31
Rot. Bonds3

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine (PubChem CID 105358167) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine
PubChem CID105358167
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCc2ccc3c(c2)CNC3)nc(C)n1
InChIInChI=1S/C15H18N4/c1-10-5-15(19-11(2)18-10)17-7-12-3-4-13-8-16-9-14(13)6-12/h3-6,16H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyNVSVHLIYMJHPSM-UHFFFAOYSA-N
XLogP2.31
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 105357862
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine
CID 114252253
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 47156644
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638
N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 55031927
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 105357866
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 105358113
4-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1H-pyrimidin-6-one
CID 136743847
2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine
CID 125423856
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(2-methylpropoxy)pyrazin-2-amine
CID 166238019
6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile
CID 115143303
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylimidazol-2-amine
CID 105358195

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine (CID 105358167) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine is Cc1cc(NCc2ccc3c(c2)CNC3)nc(C)n1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine?
The InChIKey is NVSVHLIYMJHPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-5-15(19-11(2)18-10)17-7-12-3-4-13-8-16-9-14(13)6-12/h3-6,16H,7-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine has a molecular weight of 254.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 105358167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).