N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine

C14H18N4 — CID 83212983

IUPACN-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(Cc3ncccn3)cc21
InChIInChI=1S/C14H18N4/c1-15-13-5-2-4-11-8-18(9-12(11)13)10-14-16-6-3-7-17-14/h3,6-9,13,15H,2,4-5,10H2,1H3
InChIKeyLPLSPJRFAXACRG-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.92
Rot. Bonds3

About N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine

N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83212983) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound NameN-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83212983
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(Cc3ncccn3)cc21
InChIInChI=1S/C14H18N4/c1-15-13-5-2-4-11-8-18(9-12(11)13)10-14-16-6-3-7-17-14/h3,6-9,13,15H,2,4-5,10H2,1H3
InChIKeyLPLSPJRFAXACRG-UHFFFAOYSA-N
XLogP1.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214487
2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213062
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83210466
2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212352
N-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208066
N-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213481
2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83210816
2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208813
2-(cyclohexylmethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213581
N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208070
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213217
N-methyl-2-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 103136377

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine (CID 83212983) is N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine is CNC1CCCc2cn(Cc3ncccn3)cc21.
What is the InChIKey of N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is LPLSPJRFAXACRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-15-13-5-2-4-11-8-18(9-12(11)13)10-14-16-6-3-7-17-14/h3,6-9,13,15H,2,4-5,10H2,1H3.
What are the key properties of N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 242.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83212983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).