4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine

C21H24N6 — CID 166376089

IUPAC4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine
SMILESCN(C)c1ccc(CCNc2nccc(N3Cc4ccccc4C3)n2)cn1
InChIInChI=1S/C21H24N6/c1-26(2)19-8-7-16(13-24-19)9-11-22-21-23-12-10-20(25-21)27-14-17-5-3-4-6-18(17)15-27/h3-8,10,12-13H,9,11,14-15H2,1-2H3,(H,22,23,25)
InChIKeyBGOCGMNJNWGJIE-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.11
Rot. Bonds6

About 4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine

4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine (PubChem CID 166376089) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine
PubChem CID166376089
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine
SMILESCN(C)c1ccc(CCNc2nccc(N3Cc4ccccc4C3)n2)cn1
InChIInChI=1S/C21H24N6/c1-26(2)19-8-7-16(13-24-19)9-11-22-21-23-12-10-20(25-21)27-14-17-5-3-4-6-18(17)15-27/h3-8,10,12-13H,9,11,14-15H2,1-2H3,(H,22,23,25)
InChIKeyBGOCGMNJNWGJIE-UHFFFAOYSA-N
XLogP3.11
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine (CID 166376089) is 4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine is CN(C)c1ccc(CCNc2nccc(N3Cc4ccccc4C3)n2)cn1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine?
The InChIKey is BGOCGMNJNWGJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-26(2)19-8-7-16(13-24-19)9-11-22-21-23-12-10-20(25-21)27-14-17-5-3-4-6-18(17)15-27/h3-8,10,12-13H,9,11,14-15H2,1-2H3,(H,22,23,25).
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine?
4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine has a molecular weight of 360.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 166376089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).